data_2rv7_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 2rv7 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.9 mttt . . . . . 0 N--CA 1.48 1.066 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -62.78 -32.73 77.8 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 124.351 3.367 . . . . 0.0 115.365 -177.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -82.24 103.05 11.55 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.579 0.752 . . . . 0.0 110.335 -175.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -115.68 146.62 41.69 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.692 1.597 . . . . 0.0 112.666 -169.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.5 t -77.07 136.03 66.29 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 124.137 0.975 . . . . 0.0 110.987 -178.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -77.05 -10.59 17.97 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 123.848 3.032 . . . . 0.0 112.375 174.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -112.63 -27.36 8.22 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 -173.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.7 p -143.49 -177.74 5.54 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.8 m -71.94 1.14 7.64 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.32 1.448 . . . . 0.0 114.414 -177.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -61.9 143.35 56.55 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.962 1.305 . . . . 0.0 113.871 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.83 152.14 35.99 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.092 1.357 . . . . 0.0 112.025 172.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.7 t -147.46 166.42 27.29 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.019 1.328 . . . . 0.0 112.333 173.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.2 0.51 56.69 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.069 1.347 . . . . 0.0 114.058 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 61.9 mt -132.1 134.48 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.365 1.466 . . . . 0.0 110.201 -172.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -62.74 -41.23 99.09 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.997 0.919 . . . . 0.0 112.924 178.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.32 -34.47 73.84 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.995 0.918 . . . . 0.0 113.07 175.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -68.9 -38.44 79.6 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.583 -0.698 . . . . 0.0 111.561 175.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.2 tp -65.32 -45.03 85.93 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.176 -0.952 . . . . 0.0 111.623 170.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -55.16 -47.52 75.04 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.204 0.911 . . . . 0.0 111.535 176.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.84 -35.1 71.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 123.186 0.594 . . . . 0.0 112.241 -176.102 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -66.14 -40.6 90.74 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.169 0.988 . . . . 0.0 112.743 177.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.5 mt -62.62 -24.77 67.76 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.019 0.928 . . . . 0.0 112.668 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 . . . . . 0 N--CA 1.482 1.126 0 C-N-CA 125.023 1.329 . . . . 0.0 114.325 176.696 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.552 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.2 t -67.23 142.63 56.87 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 122.115 0.96 . . . . 0.0 111.792 170.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -81.53 -5.59 58.14 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.891 0.876 . . . . 0.0 112.068 175.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -122.66 -26.94 4.43 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.359 1.063 . . . . 0.0 113.808 -170.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.2 p -138.73 -178.34 5.27 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.045 0.938 . . . . 0.0 113.273 172.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.0 m -73.43 4.56 4.61 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.297 1.439 . . . . 0.0 114.068 176.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -61.1 146.41 47.5 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 123.966 0.906 . . . . 0.0 112.784 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.3 p -139.78 152.04 46.26 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 125.06 1.344 . . . . 0.0 112.193 171.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 9.1 t -143.21 151.01 40.12 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.314 1.045 . . . . 0.0 112.165 -177.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.5 mt -87.44 -3.9 59.01 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.684 1.194 . . . . 0.0 113.254 170.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.0 m -131.44 111.4 11.77 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.897 1.679 . . . . 0.0 110.884 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.6 pttt -60.81 -31.36 70.76 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.996 1.318 . . . . 0.0 113.971 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.16 -34.84 81.99 Favored Glycine 0 CA--C 1.538 1.513 0 O-C-N 121.871 -0.518 . . . . 0.0 113.406 174.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -72.77 -35.52 67.45 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.286 -1.126 . . . . 0.0 111.765 172.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.68 -39.42 91.36 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.381 0.672 . . . . 0.0 112.211 171.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -59.07 -49.17 78.92 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.356 -0.84 . . . . 0.0 111.135 171.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.3 t -60.8 -39.64 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 CA-C-N 118.661 0.664 . . . . 0.0 111.85 177.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -57.2 -46.46 82.87 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.845 0.858 . . . . 0.0 111.718 175.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 93.7 mt -70.7 -42.63 77.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 O-C-N 121.023 -1.048 . . . . 0.0 111.233 177.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -63.95 -21.12 66.34 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.08 1.352 . . . . 0.0 113.859 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.7 ptm85 -105.89 -41.59 5.37 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.7 t -90.54 -42.85 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 CA-C-N 118.219 0.463 . . . . 0.0 111.557 -173.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -113.69 15.08 18.88 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -169.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? . . . . . 0 N--CA 1.471 0.581 0 C-N-CA 125.891 1.677 . . . . 0.0 109.738 173.831 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 . . . . . 0 N--CA 1.471 0.608 0 N-CA-C 110.805 -0.072 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 38.7 p-80 -133.07 148.23 52.19 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.582 0.753 . . . . 0.0 112.528 169.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 52.7 t -69.64 135.19 49.6 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.15 1.38 . . . . 0.0 112.457 178.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.83 -0.74 44.77 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 178.052 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -113.52 -35.68 5.17 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.473 1.109 . . . . 0.0 113.503 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.9 p -129.59 2.33 5.0 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 -176.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm 56.38 15.85 2.16 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 126.739 2.015 . . . . 0.0 115.549 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -63.3 137.89 58.34 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.931 1.292 . . . . 0.0 110.671 172.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -84.46 142.79 29.83 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.146 0.978 . . . . 0.0 112.058 177.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -131.45 144.23 51.01 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.19 1.796 . . . . 0.0 112.477 -176.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 44.1 p -81.27 -16.81 51.47 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.311 1.844 . . . . 0.0 114.671 -174.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -152.18 145.72 24.91 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 126.346 1.858 . . . . 0.0 108.362 176.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.9 p -57.87 -37.2 59.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 O-C-N 121.62 -0.675 . . . . 0.0 111.305 170.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -62.62 -32.5 73.53 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.8 1.182 . . . . 0.0 112.717 178.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -73.59 -35.51 65.43 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.305 0.642 . . . . 0.0 111.741 174.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.7 tp -62.45 -39.17 92.52 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.691 0.796 . . . . 0.0 112.457 174.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 16.2 mm -61.4 -46.31 96.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 O-C-N 121.641 -0.662 . . . . 0.0 110.747 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -59.24 -40.99 87.65 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.366 0.666 . . . . 0.0 111.847 177.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -60.97 -45.48 94.6 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.679 0.792 . . . . 0.0 113.05 171.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 66.5 mt -62.91 -43.45 98.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 O-C-N 121.33 -0.856 . . . . 0.0 110.792 176.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 76.6 mtp85 -63.04 -23.18 67.33 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 175.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -97.13 -44.27 7.03 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.541 1.137 . . . . 0.0 113.516 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -103.47 -25.57 13.19 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.9 1.28 . . . . 0.0 114.239 -171.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 57.0 m-70 . . . . . 0 CA--C 1.547 0.834 0 C-N-CA 125.374 1.47 . . . . 0.0 112.719 -173.375 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.2 mttp . . . . . 0 N--CA 1.478 0.975 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.37 -28.8 71.82 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 123.827 3.018 . . . . 0.0 115.373 -175.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -83.83 99.75 10.52 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.145 0.578 . . . . 0.0 111.245 -176.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -94.45 149.59 21.09 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.83 1.652 . . . . 0.0 112.265 -178.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.7 t -78.0 136.75 61.79 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 124.628 1.171 . . . . 0.0 110.664 171.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -78.61 -10.84 15.75 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 123.991 3.127 . . . . 0.0 112.277 173.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -108.03 -28.84 9.32 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.401 1.08 . . . . 0.0 113.497 -173.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.8 p -145.13 -176.0 4.92 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 178.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.3 m -72.36 0.14 10.87 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.312 1.445 . . . . 0.0 114.477 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -61.33 145.32 51.87 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.736 1.215 . . . . 0.0 113.794 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.18 152.57 36.28 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.801 1.24 . . . . 0.0 111.796 169.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.8 t -144.33 168.23 20.59 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.745 1.218 . . . . 0.0 112.584 173.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.95 -1.45 58.0 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.273 1.429 . . . . 0.0 114.375 177.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 56.7 mt -135.19 135.43 52.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 125.285 1.434 . . . . 0.0 110.047 -170.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -63.13 -39.54 94.99 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 123.987 0.915 . . . . 0.0 112.692 177.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.99 -36.1 76.44 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.786 0.834 . . . . 0.0 113.014 173.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -71.41 -25.22 62.24 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.568 -0.707 . . . . 0.0 112.46 175.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.5 tp -76.65 -44.7 32.88 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.35 -0.844 . . . . 0.0 111.064 168.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -54.25 -48.25 71.37 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 119.083 0.856 . . . . 0.0 111.461 176.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.08 -33.77 65.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 123.669 0.787 . . . . 0.0 112.295 -176.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -69.04 -38.65 79.24 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.681 1.193 . . . . 0.0 112.772 178.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.9 mt -65.88 -24.38 66.85 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.596 0.758 . . . . 0.0 112.587 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.5 mtp-105 . . . . . 0 N--CA 1.476 0.866 0 C-N-CA 123.938 0.895 . . . . 0.0 112.145 173.452 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.546 0 N-CA-C 114.557 1.318 . . . . 0.0 114.557 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.5 t -67.95 143.9 55.43 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 122.192 0.996 . . . . 0.0 112.133 171.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -85.61 -7.75 58.65 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.01 0.924 . . . . 0.0 111.925 173.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -117.57 -27.19 6.38 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.042 1.337 . . . . 0.0 113.381 -172.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.4 p -138.51 -176.6 4.52 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 172.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.1 p -75.93 4.44 8.2 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.487 1.515 . . . . 0.0 114.139 176.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -60.34 146.05 45.52 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.563 1.145 . . . . 0.0 113.015 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 52.0 p -142.13 153.05 43.8 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 125.355 1.462 . . . . 0.0 112.032 170.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 5.4 t -142.13 170.64 15.33 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.542 1.137 . . . . 0.0 112.121 178.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -93.39 5.79 50.37 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.064 1.746 . . . . 0.0 113.796 178.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.2 t -145.22 137.86 26.09 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.71 1.204 . . . . 0.0 112.469 173.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.1 pttt -59.24 -32.86 70.36 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.703 1.601 . . . . 0.0 112.516 169.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.17 -41.31 70.06 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 123.748 0.689 . . . . 0.0 112.354 176.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 62.2 m170 -69.96 -34.05 72.9 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.464 -1.021 . . . . 0.0 112.163 173.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.32 -43.53 98.72 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.589 0.756 . . . . 0.0 111.994 170.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -57.95 -49.62 76.17 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.519 -0.738 . . . . 0.0 110.776 172.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 76.4 t -59.14 -39.47 78.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 118.7 0.682 . . . . 0.0 111.932 177.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -57.62 -47.16 82.95 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.526 0.603 . . . . 0.0 111.911 175.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 82.4 mt -70.23 -39.53 76.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 O-C-N 120.913 -1.117 . . . . 0.0 111.091 178.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -69.3 -11.41 60.78 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.401 1.48 . . . . 0.0 114.25 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -114.34 -41.04 3.53 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 175.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 40.5 t -90.19 -47.71 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 122.957 0.503 . . . . 0.0 111.33 -173.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -103.34 22.6 13.88 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.431 1.492 . . . . 0.0 113.247 -177.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? . . . . . 0 CA--C 1.539 0.53 0 C-N-CA 125.994 1.718 . . . . 0.0 111.13 173.931 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 . . . . . 0 N--CA 1.472 0.67 0 N-CA-C 110.637 -0.135 . . . . 0.0 110.637 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -138.14 152.52 48.78 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.198 -0.938 . . . . 0.0 113.069 168.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 53.1 t -73.7 132.42 42.67 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.976 1.711 . . . . 0.0 112.652 -179.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.76 -4.1 50.48 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 177.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -107.81 -34.71 6.87 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.271 1.029 . . . . 0.0 113.419 -178.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.8 p -131.12 3.92 4.38 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 -177.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt 59.41 11.55 2.29 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 126.617 1.967 . . . . 0.0 115.302 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -64.55 135.73 56.3 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.901 1.28 . . . . 0.0 111.047 175.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -82.65 141.08 32.77 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.284 1.034 . . . . 0.0 111.544 176.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -127.86 140.52 51.97 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.749 1.62 . . . . 0.0 111.946 -176.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 39.5 p -73.2 -22.64 60.41 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.478 1.511 . . . . 0.0 114.262 -174.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -149.31 148.09 29.12 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.037 1.735 . . . . 0.0 109.495 178.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.7 p -58.36 -38.89 72.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 CA-C-O 118.683 -0.675 . . . . 0.0 111.852 172.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -64.89 -33.07 75.13 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.881 1.219 . . . . 0.0 112.33 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -71.02 -36.15 72.29 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 122.973 0.509 . . . . 0.0 111.552 173.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.86 -39.8 95.54 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.606 0.763 . . . . 0.0 112.505 175.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 15.2 mm -60.49 -45.3 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 118.633 0.651 . . . . 0.0 110.594 178.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -63.45 -39.15 93.72 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.174 0.59 . . . . 0.0 112.031 178.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -60.24 -45.66 92.49 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 118.759 0.708 . . . . 0.0 112.681 170.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 59.9 mt -60.62 -44.67 97.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 O-C-N 121.57 -0.706 . . . . 0.0 110.416 175.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 43.0 mtt-85 -67.44 -18.81 65.23 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 115.502 1.668 . . . . 0.0 115.502 176.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -97.65 -38.92 9.33 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.138 0.975 . . . . 0.0 113.313 178.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.11 -26.66 11.02 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.925 1.29 . . . . 0.0 114.384 -173.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 42.2 m-70 . . . . . 0 CA--C 1.549 0.91 0 C-N-CA 125.683 1.593 . . . . 0.0 112.507 -171.546 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt . . . . . 0 N--CA 1.481 1.113 0 N-CA-C 113.194 0.812 . . . . 0.0 113.194 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -65.51 -27.57 54.0 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 124.211 3.274 . . . . 0.0 115.42 -173.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -82.73 94.66 7.65 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.025 0.53 . . . . 0.0 111.112 -176.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -90.73 148.47 22.56 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.28 1.832 . . . . 0.0 111.943 -178.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.2 t -77.82 134.28 64.99 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 124.357 1.063 . . . . 0.0 110.145 171.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -78.51 -7.11 15.77 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 123.965 3.11 . . . . 0.0 112.324 171.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -113.08 -26.32 8.52 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.859 1.263 . . . . 0.0 113.295 -170.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.4 p -146.34 -173.8 4.28 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.289 1.036 . . . . 0.0 113.327 172.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.8 m -74.11 0.84 12.6 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.249 1.42 . . . . 0.0 114.713 -177.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -61.89 146.75 48.87 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.287 1.435 . . . . 0.0 113.972 -178.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.17 151.91 35.15 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.866 1.266 . . . . 0.0 112.035 169.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.2 t -143.78 166.31 25.24 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.643 1.177 . . . . 0.0 112.443 173.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.2 -1.04 57.61 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.084 1.354 . . . . 0.0 114.281 177.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 54.9 mt -133.58 134.86 56.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 125.386 1.474 . . . . 0.0 109.939 -171.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -63.27 -39.72 95.39 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.717 0.807 . . . . 0.0 112.836 178.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.18 -35.76 76.08 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.874 0.869 . . . . 0.0 113.073 174.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -71.1 -25.15 62.47 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.506 -0.746 . . . . 0.0 112.452 175.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.1 tp -76.84 -45.38 28.66 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.069 0.85 . . . . 0.0 111.019 168.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -53.67 -47.18 70.65 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.205 0.912 . . . . 0.0 111.59 176.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.3 -34.07 66.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 123.553 0.741 . . . . 0.0 112.266 -177.119 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -69.05 -38.05 78.89 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.614 1.166 . . . . 0.0 112.778 178.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 62.0 mt -64.75 -23.45 67.25 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.606 0.763 . . . . 0.0 112.707 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 . . . . . 0 N--CA 1.475 0.818 0 C-N-CA 124.103 0.961 . . . . 0.0 112.272 174.143 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.61 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.8 t -67.61 142.85 56.31 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 122.203 1.001 . . . . 0.0 111.59 171.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -82.12 -5.09 58.17 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.856 0.863 . . . . 0.0 112.113 175.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -122.08 -26.59 4.71 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.513 1.125 . . . . 0.0 113.621 -170.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 29.4 p -140.22 -178.28 5.4 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.33 1.052 . . . . 0.0 113.321 171.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.8 m -73.72 5.14 4.23 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.351 1.46 . . . . 0.0 114.083 177.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -61.22 146.56 47.33 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.008 0.923 . . . . 0.0 112.718 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 80.6 p -138.66 154.9 48.65 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 125.019 1.328 . . . . 0.0 112.11 170.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 17.3 t -147.57 152.56 38.16 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.064 0.946 . . . . 0.0 112.171 -175.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 64.6 mt -86.63 -2.07 58.2 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.006 1.322 . . . . 0.0 113.343 172.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.2 t -133.37 124.53 27.34 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 125.828 1.651 . . . . 0.0 111.608 177.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -60.73 -33.15 72.48 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 125.459 1.504 . . . . 0.0 113.167 172.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -75.31 -35.19 48.94 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 123.756 0.693 . . . . 0.0 112.934 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -71.89 -34.78 69.43 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.286 -1.126 . . . . 0.0 111.849 169.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.0 tp -62.29 -38.73 90.48 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.5 -0.75 . . . . 0.0 112.21 171.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -57.79 -50.28 73.79 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.486 -0.758 . . . . 0.0 110.877 170.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.6 t -59.18 -40.17 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 118.974 0.806 . . . . 0.0 111.897 177.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -56.74 -47.3 80.32 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.547 0.739 . . . . 0.0 111.803 175.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 87.7 mt -71.16 -40.55 74.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 O-C-N 120.766 -1.209 . . . . 0.0 111.29 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -67.41 -11.94 59.02 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.642 1.577 . . . . 0.0 114.069 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -116.22 -41.11 3.18 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 176.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 38.7 t -88.85 -45.62 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-N 118.374 0.534 . . . . 0.0 111.251 -173.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -105.55 17.45 23.83 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.323 1.449 . . . . 0.0 113.599 -175.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? . . . . . 0 N--CA 1.468 0.459 0 C-N-CA 126.002 1.721 . . . . 0.0 111.207 178.983 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 . . . . . 0 CA--C 1.54 0.572 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 42.5 p-80 -134.95 148.39 50.01 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 170.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 44.6 t -70.63 134.92 48.0 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.474 1.509 . . . . 0.0 112.252 175.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.1 -3.19 51.16 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 178.163 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -108.33 -52.91 2.7 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.419 1.088 . . . . 0.0 112.244 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 23.5 p -111.93 0.2 15.99 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -173.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? 59.04 15.88 4.33 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 126.577 1.951 . . . . 0.0 114.439 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -64.35 138.28 58.35 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.164 1.386 . . . . 0.0 110.493 171.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -88.11 144.81 26.28 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.875 0.87 . . . . 0.0 112.504 176.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -134.14 127.62 32.43 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.868 1.667 . . . . 0.0 111.927 -174.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 49.7 m -79.96 -8.13 59.17 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -178.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -138.96 133.9 32.4 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.424 1.49 . . . . 0.0 109.515 171.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.75 -36.77 73.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 CA-C-O 118.827 -0.606 . . . . 0.0 111.513 174.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -64.47 -34.58 78.54 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.865 1.211 . . . . 0.0 112.079 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -72.23 -32.35 66.64 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 174.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.6 tp -61.92 -41.35 97.83 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 118.303 0.501 . . . . 0.0 111.804 171.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 13.9 mm -61.94 -47.56 92.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 CA-C-N 118.575 0.625 . . . . 0.0 110.459 177.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -59.4 -41.1 88.65 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.403 0.681 . . . . 0.0 111.815 178.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -60.21 -45.99 91.27 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.99 0.916 . . . . 0.0 112.962 171.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 61.8 mt -62.85 -42.83 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-N 119.22 0.918 . . . . 0.0 110.782 176.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 77.9 mtp85 -64.81 -23.22 67.17 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 175.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -97.27 -41.66 8.17 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.641 1.177 . . . . 0.0 113.671 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -104.79 -25.46 12.64 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.977 1.311 . . . . 0.0 114.189 -171.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 . . . . . 0 CA--C 1.547 0.831 0 C-N-CA 125.11 1.364 . . . . 0.0 113.225 -172.863 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 N--CA 1.479 0.992 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -60.99 -32.01 91.93 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 124.382 3.388 . . . . 0.0 115.19 -174.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -82.56 104.74 13.05 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.627 0.771 . . . . 0.0 110.633 -175.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -98.11 149.66 22.27 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.285 1.434 . . . . 0.0 112.124 -176.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.9 t -77.07 133.72 68.7 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 123.595 0.758 . . . . 0.0 109.991 169.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -77.42 -7.81 17.04 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 123.715 2.943 . . . . 0.0 112.318 173.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -116.06 -24.89 7.86 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -171.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.1 p -143.49 -172.65 3.76 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 172.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.5 p -75.87 -0.12 20.18 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.314 1.446 . . . . 0.0 114.68 -178.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -60.28 146.5 43.66 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.893 1.277 . . . . 0.0 114.039 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.99 154.6 39.59 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.857 1.263 . . . . 0.0 111.919 170.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.6 t -146.46 167.31 23.97 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.651 1.18 . . . . 0.0 112.602 173.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.25 -0.87 57.39 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.462 1.505 . . . . 0.0 114.536 176.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 56.0 mt -135.46 135.17 51.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 125.177 1.391 . . . . 0.0 110.206 -171.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -62.65 -40.24 96.41 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.807 0.843 . . . . 0.0 112.561 177.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.01 76.87 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.943 0.897 . . . . 0.0 112.874 175.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -70.53 -25.57 63.18 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.54 -0.725 . . . . 0.0 112.41 174.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.0 tp -76.96 -44.81 29.89 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 118.941 0.791 . . . . 0.0 111.084 169.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -53.86 -45.8 71.07 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.14 0.882 . . . . 0.0 111.499 176.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.2 -34.29 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 C-N-CA 123.572 0.749 . . . . 0.0 112.403 -176.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -67.79 -39.96 83.99 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.804 1.242 . . . . 0.0 112.766 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.0 mt -61.21 -21.52 63.91 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.975 0.91 . . . . 0.0 113.156 -178.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 . . . . . 0 N--CA 1.477 0.901 0 C-N-CA 125.719 1.607 . . . . 0.0 114.118 -178.659 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.403 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.8 t -69.23 140.75 54.54 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 122.11 0.957 . . . . 0.0 111.678 172.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -84.1 -4.02 58.49 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.82 0.848 . . . . 0.0 111.962 173.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -120.42 -27.22 5.24 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.974 1.309 . . . . 0.0 113.245 -170.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.3 p -139.88 -177.4 4.96 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.515 1.126 . . . . 0.0 112.904 171.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.9 m -74.16 5.41 4.44 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.198 1.399 . . . . 0.0 114.104 177.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -62.3 145.81 52.74 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.782 1.233 . . . . 0.0 113.213 -178.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 77.6 p -140.53 156.24 46.37 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 125.271 1.428 . . . . 0.0 112.102 169.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.4 t -144.64 167.24 23.02 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.695 1.198 . . . . 0.0 111.232 176.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -95.97 12.18 31.32 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.483 1.513 . . . . 0.0 112.377 172.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.8 t -138.85 128.5 24.73 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.491 1.516 . . . . 0.0 112.475 174.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.3 pttt -61.1 -33.63 73.67 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.466 1.506 . . . . 0.0 112.333 169.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.34 -44.26 75.26 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 123.843 0.735 . . . . 0.0 112.43 177.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -71.26 -32.78 69.14 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.47 -1.017 . . . . 0.0 112.385 175.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.3 tp -58.55 -43.09 89.21 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 119.012 0.824 . . . . 0.0 111.845 169.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.9 tttt -61.16 -47.16 87.49 Favored 'General case' 0 N--CA 1.463 0.225 0 O-C-N 121.579 -0.701 . . . . 0.0 110.406 176.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.4 t -61.4 -40.64 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 122.914 0.486 . . . . 0.0 111.772 177.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -57.34 -45.4 84.36 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.041 0.936 . . . . 0.0 112.26 175.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.4 mt -71.15 -41.83 75.66 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 O-C-N 121.045 -1.034 . . . . 0.0 111.001 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -64.52 -21.8 66.79 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.065 1.346 . . . . 0.0 113.64 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -102.95 -41.85 6.0 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.689 1.196 . . . . 0.0 113.864 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 25.2 t -92.33 -45.25 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-N 118.218 0.463 . . . . 0.0 111.646 -173.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -112.65 18.91 17.94 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 115.365 1.617 . . . . 0.0 115.365 -169.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? . . . . . 0 N--CA 1.471 0.581 0 C-N-CA 125.155 1.382 . . . . 0.0 111.364 -178.34 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 . . . . . 0 N--CA 1.469 0.481 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 45.0 p-80 -139.46 149.3 43.86 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.558 0.743 . . . . 0.0 112.22 168.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 53.3 t -76.15 122.09 23.8 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.97 1.308 . . . . 0.0 109.733 169.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.78 -22.21 62.4 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 120.806 -1.184 . . . . 0.0 113.496 178.087 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -81.95 -36.09 28.35 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.453 1.101 . . . . 0.0 113.661 -173.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 29.2 p -126.58 0.24 6.84 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 179.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . 0.337 63.2 mttp 58.08 28.05 15.79 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.959 2.104 . . . . 0.0 114.372 174.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -76.39 137.19 39.61 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 127.082 2.153 . . . . 0.0 110.247 169.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -91.66 146.94 23.37 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.174 0.99 . . . . 0.0 112.209 176.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -134.48 131.93 38.66 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.968 1.707 . . . . 0.0 111.051 -173.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 57.7 p -83.16 -6.47 59.49 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.13 1.372 . . . . 0.0 113.706 176.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -139.95 131.92 27.77 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.27 1.828 . . . . 0.0 110.566 177.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.8 p -65.81 -37.67 80.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-O 118.84 -0.6 . . . . 0.0 111.841 173.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -66.84 -37.64 84.88 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 120.222 1.373 . . . . 0.0 111.887 -177.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -70.17 -28.32 65.24 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 171.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.0 tp -62.59 -42.36 99.51 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 119.524 1.056 . . . . 0.0 111.686 170.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 15.9 mm -62.06 -45.22 99.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 O-C-N 121.707 -0.621 . . . . 0.0 110.531 177.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -60.06 -43.42 95.43 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.365 0.666 . . . . 0.0 111.882 176.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 66.6 t60 -58.48 -44.46 89.35 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.94 0.896 . . . . 0.0 112.504 172.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 54.4 mt -62.94 -45.38 99.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 O-C-N 121.566 -0.709 . . . . 0.0 111.065 175.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -63.05 -28.5 70.13 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 177.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -90.68 -45.9 8.58 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.236 1.014 . . . . 0.0 113.435 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -99.26 -25.63 14.44 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.726 1.21 . . . . 0.0 114.13 -172.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 . . . . . 0 CA--C 1.548 0.888 0 C-N-CA 125.673 1.589 . . . . 0.0 112.771 -172.785 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -61.61 -32.12 87.25 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 124.377 3.384 . . . . 0.0 115.402 -176.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -81.92 105.65 13.21 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.574 0.75 . . . . 0.0 111.03 -175.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -99.9 149.02 23.84 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.264 1.425 . . . . 0.0 112.357 -176.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.3 t -76.84 134.84 68.19 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 123.684 0.794 . . . . 0.0 110.169 169.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -77.58 -8.54 17.12 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 123.737 2.958 . . . . 0.0 112.341 173.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -115.13 -25.71 7.98 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -171.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.8 p -142.75 -174.57 4.2 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 174.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.8 p -75.02 0.78 14.79 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.403 1.481 . . . . 0.0 114.692 -178.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -60.13 145.31 47.28 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.946 1.298 . . . . 0.0 114.017 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -146.91 152.16 38.23 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.097 1.359 . . . . 0.0 111.823 171.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.4 t -146.62 168.07 22.18 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.558 1.143 . . . . 0.0 112.523 172.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.65 -0.99 57.88 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.334 1.453 . . . . 0.0 114.332 177.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 56.4 mt -135.24 135.49 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 125.236 1.414 . . . . 0.0 110.248 -170.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -63.23 -40.02 96.28 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.952 0.901 . . . . 0.0 112.743 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.97 -36.01 76.2 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.724 0.81 . . . . 0.0 113.032 174.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -71.03 -26.4 63.09 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.447 -0.783 . . . . 0.0 112.386 175.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.5 tp -75.82 -44.86 39.0 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 119.006 0.821 . . . . 0.0 111.087 169.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -54.36 -46.57 73.01 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 118.966 0.803 . . . . 0.0 111.606 176.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.25 -34.12 64.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 123.395 0.678 . . . . 0.0 112.381 -176.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -67.57 -40.08 84.9 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.575 1.15 . . . . 0.0 112.836 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 61.8 mt -61.51 -21.86 64.6 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.06 0.944 . . . . 0.0 113.358 -178.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.0 mtp85 . . . . . 0 N--CA 1.477 0.89 0 C-N-CA 125.809 1.644 . . . . 0.0 114.279 -178.967 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.421 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.1 t -68.77 141.49 55.19 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 122.217 1.008 . . . . 0.0 111.81 171.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -82.78 -7.24 59.67 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.919 0.887 . . . . 0.0 111.892 174.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -120.04 -25.96 5.66 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.704 1.202 . . . . 0.0 113.804 -171.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 29.5 p -139.19 -177.91 5.12 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 169.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.1 m -72.66 3.36 5.12 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.299 1.439 . . . . 0.0 114.045 176.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -60.2 145.45 47.11 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.196 0.998 . . . . 0.0 113.127 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.7 p -142.84 149.65 38.85 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 125.486 1.515 . . . . 0.0 112.004 173.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 18.6 t -140.23 152.16 45.73 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.663 1.185 . . . . 0.0 112.208 -178.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -83.57 -7.8 59.45 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.503 1.121 . . . . 0.0 112.713 172.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.8 m -129.07 124.79 35.73 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.881 1.672 . . . . 0.0 112.016 -176.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -66.11 -37.15 85.03 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.181 1.392 . . . . 0.0 113.337 -173.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.19 -34.95 91.0 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 123.569 0.604 . . . . 0.0 113.344 177.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -74.23 -31.81 62.74 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.407 -1.055 . . . . 0.0 112.237 175.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 54.6 tp -60.52 -43.04 97.53 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 119.389 0.995 . . . . 0.0 111.239 169.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -58.16 -53.16 61.43 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.885 -0.509 . . . . 0.0 110.28 175.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 69.8 t -61.24 -36.95 76.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -55.77 -43.47 76.77 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.327 0.651 . . . . 0.0 111.883 173.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 78.7 mt -72.03 -37.29 59.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 O-C-N 120.873 -1.142 . . . . 0.0 111.062 175.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -69.9 -10.98 60.47 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.441 1.274 . . . . 0.0 114.441 177.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.7 ptt180 -114.68 -39.97 3.66 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 179.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.3 t -92.24 -45.36 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 C-N-CA 122.641 0.376 . . . . 0.0 111.306 -175.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 65.5 m-70 -110.48 22.92 14.89 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.041 1.336 . . . . 0.0 114.23 -172.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.473 0.7 0 C-N-CA 124.409 1.084 . . . . 0.0 110.83 179.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.0 mp0 . . . . . 0 N--CA 1.471 0.576 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -132.26 147.3 52.4 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.206 1.003 . . . . 0.0 111.873 167.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 52.8 t -72.43 130.36 40.52 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.501 1.521 . . . . 0.0 111.443 175.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.97 -17.17 61.04 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 179.154 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -91.47 -40.57 11.33 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.318 1.047 . . . . 0.0 112.818 -176.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.6 p -128.98 0.77 5.29 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 115.377 1.621 . . . . 0.0 115.377 -174.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 60.42 17.37 7.15 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 126.722 2.009 . . . . 0.0 114.309 175.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -67.42 134.67 51.85 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.426 1.49 . . . . 0.0 110.301 170.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -87.2 142.85 27.6 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.55 0.74 . . . . 0.0 112.301 177.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -128.1 132.07 49.0 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.631 1.172 . . . . 0.0 111.313 -177.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.8 m -79.83 -20.03 47.03 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.588 1.155 . . . . 0.0 113.727 -176.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -138.31 130.7 28.96 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.761 1.624 . . . . 0.0 109.922 176.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.19 -35.25 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -174.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -58.77 -36.02 73.71 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 121.182 -0.949 . . . . 0.0 112.462 178.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -78.37 -25.25 46.22 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 175.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.1 tp -64.39 -43.68 93.71 Favored 'General case' 0 CA--C 1.537 0.442 0 CA-C-N 119.16 0.891 . . . . 0.0 110.896 169.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 17.1 mm -61.3 -45.18 99.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 O-C-N 121.731 -0.606 . . . . 0.0 110.511 176.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -61.16 -43.08 99.44 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.056 0.942 . . . . 0.0 111.939 177.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 59.6 t60 -59.92 -44.36 94.35 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.267 1.027 . . . . 0.0 112.55 171.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 58.1 mt -60.81 -46.92 95.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 O-C-N 121.64 -0.662 . . . . 0.0 110.712 176.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -62.07 -38.14 87.66 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 175.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -81.74 -40.11 23.2 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 -177.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -101.69 -29.94 11.62 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -171.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 . . . . . 0 N--CA 1.475 0.824 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 -171.604 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt . . . . . 0 N--CA 1.481 1.079 0 N-CA-C 114.36 1.245 . . . . 0.0 114.36 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -64.61 -29.42 60.78 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 124.553 3.502 . . . . 0.0 115.806 -177.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -87.55 106.22 17.85 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.185 0.594 . . . . 0.0 111.192 -176.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -100.91 150.19 23.11 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 125.274 1.43 . . . . 0.0 112.035 -178.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.2 t -76.2 137.13 68.58 Favored Pre-proline 0 CA--C 1.548 0.875 0 C-N-CA 124.3 1.04 . . . . 0.0 110.521 170.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -77.71 -11.48 16.88 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 123.905 3.07 . . . . 0.0 112.456 174.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -111.7 -26.96 8.73 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -173.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.0 p -141.76 -176.81 4.91 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 177.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.5 p -73.73 0.46 12.92 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.32 1.448 . . . . 0.0 114.623 -177.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -60.07 143.46 52.0 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.908 1.283 . . . . 0.0 113.778 178.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.12 152.93 35.53 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.699 1.2 . . . . 0.0 112.243 169.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 t -147.11 170.68 16.68 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.829 1.251 . . . . 0.0 112.614 177.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -92.55 -0.94 57.27 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.502 1.521 . . . . 0.0 114.242 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 65.6 mt -135.9 134.19 50.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.354 1.462 . . . . 0.0 109.9 -170.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -63.04 -38.87 92.9 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 121.537 -0.727 . . . . 0.0 112.577 178.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.04 -34.31 74.67 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.958 0.903 . . . . 0.0 113.212 175.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -68.4 -37.97 80.86 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.44 -0.787 . . . . 0.0 111.314 173.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 54.9 tp -65.7 -45.23 83.59 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.24 -0.913 . . . . 0.0 111.521 171.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -54.5 -46.42 73.45 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.276 0.944 . . . . 0.0 111.668 176.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.29 -35.96 70.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 123.183 0.593 . . . . 0.0 112.255 -176.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -65.53 -41.93 92.56 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.05 0.94 . . . . 0.0 112.635 178.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 61.6 mt -60.65 -21.26 62.59 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.28 1.032 . . . . 0.0 113.276 -178.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 . . . . . 0 N--CA 1.477 0.878 0 C-N-CA 124.687 1.195 . . . . 0.0 113.413 179.485 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.459 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.3 t -64.31 142.12 58.53 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 122.81 1.29 . . . . 0.0 111.457 169.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -77.22 -8.28 57.3 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 114.733 -1.121 . . . . 0.0 112.153 175.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -125.36 -25.64 3.73 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 -169.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 26.7 p -137.82 -177.96 5.04 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 169.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.0 m -74.39 4.44 5.91 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.439 1.496 . . . . 0.0 114.057 177.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -60.57 149.07 35.87 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.315 1.046 . . . . 0.0 112.831 178.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 47.9 p -141.5 153.59 45.01 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.967 1.307 . . . . 0.0 112.682 173.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 7.7 t -148.25 153.17 38.36 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.195 0.998 . . . . 0.0 112.329 175.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 97.3 mt -82.59 -2.51 53.98 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.736 1.214 . . . . 0.0 113.623 171.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.2 t -126.65 121.78 33.11 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.678 1.591 . . . . 0.0 110.664 177.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -65.98 -30.82 71.44 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.655 1.182 . . . . 0.0 112.707 176.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.31 -38.22 71.03 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 123.644 0.64 . . . . 0.0 112.889 174.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 60.3 m80 -68.75 -39.79 80.13 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.448 -1.03 . . . . 0.0 112.594 172.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 62.8 tp -59.14 -39.52 82.66 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.174 0.99 . . . . 0.0 112.169 170.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -57.58 -53.75 54.58 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 118.449 -0.786 . . . . 0.0 110.32 169.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 85.3 t -55.13 -40.63 55.99 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-N 119.351 0.978 . . . . 0.0 112.371 177.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -56.63 -45.92 81.26 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 118.789 0.722 . . . . 0.0 112.063 175.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 91.9 mt -72.26 -38.72 62.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 O-C-N 120.696 -1.253 . . . . 0.0 111.463 178.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -69.68 -11.75 61.09 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.506 1.522 . . . . 0.0 113.451 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -114.83 -42.39 3.24 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.727 1.211 . . . . 0.0 114.23 176.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.3 t -88.99 -47.31 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 118.251 0.478 . . . . 0.0 111.109 -174.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -105.59 23.45 13.81 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.454 1.502 . . . . 0.0 113.587 -175.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? . . . . . 0 CA--C 1.546 0.811 0 C-N-CA 125.408 1.483 . . . . 0.0 111.183 175.668 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.6 mp0 . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 120.276 0.084 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -134.91 150.78 50.46 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.769 0.828 . . . . 0.0 112.601 167.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 50.8 t -77.28 131.98 38.42 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.92 1.688 . . . . 0.0 111.956 176.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.51 -15.19 60.42 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -93.0 -37.54 12.14 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.221 1.009 . . . . 0.0 112.913 -177.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 23.8 p -131.46 0.18 4.03 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 115.512 1.671 . . . . 0.0 115.512 -173.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt 56.65 19.05 4.01 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 126.317 1.847 . . . . 0.0 115.022 -178.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -65.95 136.52 56.2 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.466 1.106 . . . . 0.0 110.144 169.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 62.8 mtpt -87.77 141.31 28.7 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.696 0.798 . . . . 0.0 111.98 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -125.14 157.9 35.25 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 125.992 1.717 . . . . 0.0 111.312 -177.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.5 t -118.49 5.15 11.72 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.974 1.309 . . . . 0.0 113.887 -175.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -153.52 135.37 14.58 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 125.905 1.682 . . . . 0.0 108.445 168.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.9 p -59.66 -37.38 70.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-O 118.812 -0.613 . . . . 0.0 111.181 177.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -63.64 -36.92 85.43 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.517 1.053 . . . . 0.0 111.876 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -74.09 -27.2 60.78 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 174.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.8 tp -64.47 -42.1 96.11 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.965 0.802 . . . . 0.0 111.336 169.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 15.0 mm -61.7 -46.58 96.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 O-C-N 121.728 -0.608 . . . . 0.0 110.377 174.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -57.7 -41.9 82.65 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.333 1.053 . . . . 0.0 111.991 178.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 60.0 t60 -61.37 -44.92 96.34 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.502 1.121 . . . . 0.0 112.979 171.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 57.9 mt -63.21 -42.0 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 O-C-N 121.321 -0.862 . . . . 0.0 110.83 176.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 77.4 mtp85 -65.06 -21.69 66.86 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 114.638 1.348 . . . . 0.0 114.638 174.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -97.4 -42.36 7.78 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.598 1.159 . . . . 0.0 113.66 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.29 -25.44 11.48 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.929 1.292 . . . . 0.0 114.319 -170.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 . . . . . 0 CA--C 1.549 0.924 0 C-N-CA 125.413 1.485 . . . . 0.0 112.564 -174.328 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.6 mttt . . . . . 0 CA--C 1.55 0.947 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.12 -28.93 88.01 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 124.797 3.665 . . . . 0.0 115.28 -175.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -87.2 101.71 13.77 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.438 0.695 . . . . 0.0 110.992 -177.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -97.55 150.13 21.45 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.516 1.527 . . . . 0.0 111.623 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.1 t -75.97 136.44 69.83 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 124.104 0.962 . . . . 0.0 110.499 170.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -77.6 -10.52 17.19 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 123.874 3.049 . . . . 0.0 112.293 174.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -112.28 -27.38 8.34 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 -173.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.2 p -143.73 -177.49 5.44 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.523 0.935 . . . . 0.0 113.523 178.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.8 m -71.56 -0.3 10.31 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.219 1.408 . . . . 0.0 114.566 -177.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -62.28 145.89 52.48 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.014 1.326 . . . . 0.0 113.921 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -151.13 156.41 40.94 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.635 1.174 . . . . 0.0 111.926 169.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.0 t -146.8 167.07 24.79 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.749 1.22 . . . . 0.0 112.575 173.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.39 -2.15 57.79 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.268 1.427 . . . . 0.0 114.558 175.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 56.1 mt -133.81 135.0 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 125.148 1.379 . . . . 0.0 110.363 -171.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -62.85 -39.8 95.5 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.01 0.924 . . . . 0.0 112.64 177.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.11 -35.64 75.68 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.775 0.83 . . . . 0.0 113.101 173.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -71.57 -25.84 62.37 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.395 -0.816 . . . . 0.0 112.438 175.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.2 tp -76.38 -44.7 35.11 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.404 -0.81 . . . . 0.0 111.035 168.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -53.53 -48.12 69.35 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.237 0.926 . . . . 0.0 111.328 176.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.35 -33.9 66.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 123.467 0.707 . . . . 0.0 112.39 -176.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -68.79 -40.8 79.42 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.409 1.083 . . . . 0.0 112.51 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 71.1 mt -63.1 -26.75 68.97 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.689 0.796 . . . . 0.0 112.311 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 . . . . . 0 N--CA 1.481 1.087 0 C-N-CA 125.02 1.328 . . . . 0.0 113.977 175.682 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.557 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.7 t -66.42 142.44 57.58 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 122.216 1.008 . . . . 0.0 111.569 171.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -81.94 -5.0 57.93 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.777 0.831 . . . . 0.0 112.03 175.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -121.96 -26.56 4.76 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.653 1.181 . . . . 0.0 113.668 -170.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.4 p -140.67 -178.55 5.58 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.33 1.052 . . . . 0.0 113.246 171.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.7 m -72.64 4.04 4.38 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.305 1.442 . . . . 0.0 114.151 177.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -61.63 148.49 42.31 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.358 1.063 . . . . 0.0 113.152 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.0 p -142.59 149.84 39.54 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 125.239 1.416 . . . . 0.0 111.848 174.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.7 t -147.38 152.67 38.55 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.638 0.775 . . . . 0.0 112.26 176.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -78.43 -2.44 38.41 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.524 1.529 . . . . 0.0 112.878 175.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.9 t -132.11 126.38 33.58 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.903 1.681 . . . . 0.0 111.902 177.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.7 pttt -64.92 -30.96 71.98 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.933 1.293 . . . . 0.0 112.733 171.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.69 -37.12 76.47 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 123.655 0.645 . . . . 0.0 112.692 177.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -73.56 -35.57 65.5 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.386 1.093 . . . . 0.0 112.023 170.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.8 tp -61.24 -38.11 85.48 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.509 -0.744 . . . . 0.0 112.336 174.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -57.28 -49.15 76.99 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.721 -0.612 . . . . 0.0 110.956 171.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.46 -39.2 83.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 123.111 0.565 . . . . 0.0 111.683 177.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 65.1 t60 -58.11 -44.21 87.57 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.513 0.725 . . . . 0.0 111.979 174.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 80.9 mt -70.92 -40.71 76.75 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 O-C-N 120.727 -1.233 . . . . 0.0 111.018 177.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -68.81 -16.0 63.66 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.966 1.306 . . . . 0.0 113.947 179.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -106.1 -40.77 5.55 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 176.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.0 t -92.97 -46.37 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 118.175 0.443 . . . . 0.0 111.555 -174.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -107.96 14.03 25.65 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 115.151 1.537 . . . . 0.0 115.151 -170.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.471 0.595 0 C-N-CA 125.599 1.56 . . . . 0.0 110.355 178.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 . . . . . 0 N--CA 1.472 0.628 0 CA-C-O 119.983 -0.056 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -138.48 154.05 48.81 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 170.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.8 t -73.66 140.83 46.38 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.604 1.962 . . . . 0.0 113.006 177.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.23 -3.31 58.6 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.623 1.169 . . . . 0.0 113.791 176.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -108.81 -34.42 6.67 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.317 1.047 . . . . 0.0 113.286 -178.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 22.0 p -131.59 4.32 4.26 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 -177.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? 58.66 12.03 2.02 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 126.692 1.997 . . . . 0.0 115.385 179.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -64.71 139.06 58.72 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.049 1.34 . . . . 0.0 111.355 175.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -86.29 145.03 27.1 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.341 1.057 . . . . 0.0 112.111 176.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -132.01 141.61 49.31 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.042 1.737 . . . . 0.0 112.902 -172.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.5 p -76.78 -23.52 52.9 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.002 1.721 . . . . 0.0 114.484 -173.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -148.43 145.64 28.09 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 126.511 1.924 . . . . 0.0 108.418 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.5 p -58.19 -37.86 64.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 CA-C-O 118.698 -0.668 . . . . 0.0 111.373 173.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -63.82 -34.71 78.54 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 119.837 1.198 . . . . 0.0 112.39 177.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -70.88 -33.95 71.11 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 122.778 0.431 . . . . 0.0 111.917 174.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.93 -40.7 98.44 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.031 0.532 . . . . 0.0 111.946 172.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 13.9 mm -61.57 -46.51 96.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 CA-C-N 118.446 0.567 . . . . 0.0 110.282 176.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -59.9 -40.44 88.81 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.637 0.775 . . . . 0.0 112.02 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 58.9 t60 -60.72 -44.65 96.35 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.002 0.921 . . . . 0.0 112.976 170.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 56.7 mt -63.56 -42.79 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 O-C-N 121.258 -0.901 . . . . 0.0 110.858 176.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 71.3 mtp85 -66.0 -19.76 65.96 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 174.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -97.71 -41.86 7.89 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.398 1.079 . . . . 0.0 113.626 178.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.24 -26.02 11.24 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.974 1.31 . . . . 0.0 114.52 -171.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 . . . . . 0 CA--C 1.547 0.843 0 C-N-CA 125.33 1.452 . . . . 0.0 112.51 -173.424 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.9 mtmt . . . . . 0 N--CA 1.481 1.119 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -61.67 -31.58 86.53 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 124.267 3.311 . . . . 0.0 114.589 -176.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -88.66 100.03 12.79 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.293 0.637 . . . . 0.0 111.462 -170.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -95.6 150.49 20.28 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.165 1.786 . . . . 0.0 112.251 -177.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.7 t -76.92 135.92 66.96 Favored Pre-proline 0 CA--C 1.546 0.825 0 C-N-CA 124.765 1.226 . . . . 0.0 110.284 171.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -78.34 -8.52 16.25 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 123.918 3.079 . . . . 0.0 112.523 173.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -114.63 -24.39 8.79 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.538 1.135 . . . . 0.0 113.879 -171.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.4 p -143.58 -173.97 4.11 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 123.875 0.87 . . . . 0.0 113.344 172.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.1 p -75.41 0.31 17.39 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.554 1.541 . . . . 0.0 114.666 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -60.01 145.53 46.0 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.085 1.354 . . . . 0.0 114.046 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.28 152.87 37.87 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.104 1.361 . . . . 0.0 111.617 169.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.8 t -144.34 163.56 33.37 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.16 0.984 . . . . 0.0 112.796 173.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.78 0.62 57.39 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.481 1.512 . . . . 0.0 113.719 175.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.0 mt -128.29 128.49 68.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 125.504 1.522 . . . . 0.0 108.85 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -28.82 67.03 Favored 'General case' 0 N--CA 1.481 1.112 0 O-C-N 121.148 -0.97 . . . . 0.0 113.052 -179.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.12 -33.79 76.22 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 169.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -67.96 -38.71 83.08 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.407 -0.808 . . . . 0.0 111.289 172.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.7 tp -63.63 -45.07 91.89 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.157 -0.964 . . . . 0.0 111.907 171.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -55.58 -47.04 77.09 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.235 0.925 . . . . 0.0 111.712 175.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.97 -35.4 68.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 123.155 0.582 . . . . 0.0 112.205 -176.039 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -64.95 -38.01 89.54 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.264 1.026 . . . . 0.0 113.093 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.6 mt -61.92 -21.31 64.65 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 121.444 -0.785 . . . . 0.0 113.037 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.4 mtp85 . . . . . 0 N--CA 1.478 0.939 0 C-N-CA 124.606 1.162 . . . . 0.0 113.722 177.194 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.384 0 N-CA-C 113.018 0.748 . . . . 0.0 113.018 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 45.8 t -67.79 141.35 56.56 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-O 122.108 0.956 . . . . 0.0 111.735 171.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -84.16 -5.06 59.19 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.831 0.853 . . . . 0.0 111.851 173.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -120.04 -26.73 5.49 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.959 1.304 . . . . 0.0 113.488 -170.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.0 p -139.98 -176.14 4.48 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.375 1.07 . . . . 0.0 113.005 170.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.1 m -75.64 5.86 5.57 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.215 1.406 . . . . 0.0 114.097 177.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -62.18 147.04 48.99 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.558 1.143 . . . . 0.0 113.003 -178.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 82.8 p -141.2 156.24 45.95 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 125.273 1.429 . . . . 0.0 112.333 169.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.4 t -143.51 158.64 43.49 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.158 0.983 . . . . 0.0 112.088 172.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -84.32 -3.66 58.39 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.61 1.164 . . . . 0.0 112.476 170.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.4 t -116.51 130.27 56.66 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.569 1.548 . . . . 0.0 111.873 175.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -68.84 -32.0 71.38 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.437 1.495 . . . . 0.0 111.825 175.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.56 -41.25 66.04 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.241 0.924 . . . . 0.0 112.691 174.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 61.8 m170 -66.75 -31.49 72.17 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.449 -1.03 . . . . 0.0 112.449 176.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 59.0 tp -61.71 -44.22 97.35 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.036 0.834 . . . . 0.0 111.978 170.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.6 tttt -60.57 -47.39 86.4 Favored 'General case' 0 N--CA 1.464 0.236 0 O-C-N 121.589 -0.695 . . . . 0.0 110.343 175.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 96.8 t -60.49 -42.4 91.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 CA-C-N 118.325 0.511 . . . . 0.0 111.721 177.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -56.03 -46.76 78.74 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.009 0.924 . . . . 0.0 112.377 175.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 87.0 mt -70.13 -41.43 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 O-C-N 120.876 -1.14 . . . . 0.0 111.016 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -66.5 -18.05 65.15 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.242 1.417 . . . . 0.0 114.154 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 32.0 ptt85 -107.03 -41.54 5.14 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.529 1.131 . . . . 0.0 114.003 177.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.3 t -91.68 -43.71 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 CA-C-N 118.257 0.481 . . . . 0.0 111.537 -173.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -109.49 17.25 21.6 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.915 1.286 . . . . 0.0 114.183 -172.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.3 tmmm? . . . . . 0 N--CA 1.471 0.618 0 C-N-CA 125.769 1.628 . . . . 0.0 110.153 170.244 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 . . . . . 0 CA--C 1.543 0.709 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -131.78 151.86 51.37 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 169.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.5 t -72.93 132.86 44.01 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.971 1.708 . . . . 0.0 112.57 178.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.08 -3.99 53.78 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 177.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -105.13 -35.54 7.57 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.661 1.184 . . . . 0.0 113.155 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.9 p -132.93 1.64 3.6 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 -176.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt 57.11 16.34 2.88 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 126.288 1.835 . . . . 0.0 115.356 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -65.53 138.29 57.97 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.701 1.2 . . . . 0.0 110.522 170.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -89.46 143.7 26.62 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.119 0.967 . . . . 0.0 112.402 178.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -135.16 130.31 35.19 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.923 1.689 . . . . 0.0 111.279 -174.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.4 m -78.47 -7.01 56.98 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -174.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -143.97 145.41 32.22 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 125.329 1.452 . . . . 0.0 109.778 169.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.8 p -62.73 -40.76 89.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-O 118.728 -0.653 . . . . 0.0 110.589 174.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 42.6 mmtm -59.66 -37.06 77.71 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 119.839 1.2 . . . . 0.0 112.637 177.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -73.98 -29.48 62.0 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 176.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.5 tp -63.77 -41.05 98.05 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.676 -0.64 . . . . 0.0 111.597 169.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 16.3 mm -61.51 -44.5 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 O-C-N 121.717 -0.614 . . . . 0.0 110.271 174.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.28 -40.69 86.91 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.675 0.79 . . . . 0.0 111.933 178.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 52.2 t60 -62.27 -44.91 95.45 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.796 1.238 . . . . 0.0 112.985 170.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 49.1 mt -60.37 -42.79 92.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-N 119.094 0.861 . . . . 0.0 110.826 175.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 91.4 mtt-85 -67.21 -17.25 64.74 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 175.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -100.45 -41.17 7.11 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.521 1.128 . . . . 0.0 113.879 177.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.27 -27.07 10.75 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.197 1.399 . . . . 0.0 114.5 -171.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 . . . . . 0 CA--C 1.546 0.819 0 C-N-CA 125.032 1.333 . . . . 0.0 113.322 -172.465 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.1 mttp . . . . . 0 N--CA 1.48 1.05 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -62.63 -29.06 77.43 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 124.642 3.561 . . . . 0.0 115.475 -178.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -86.97 103.3 15.2 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.286 0.634 . . . . 0.0 111.163 -177.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -98.53 149.82 22.33 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 125.21 1.404 . . . . 0.0 111.992 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.8 t -76.38 136.23 68.58 Favored Pre-proline 0 CA--C 1.548 0.877 0 C-N-CA 124.273 1.029 . . . . 0.0 110.339 169.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -78.21 -11.05 16.29 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 123.982 3.121 . . . . 0.0 112.333 173.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -110.24 -27.05 9.29 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 -173.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.2 p -143.25 -176.07 4.78 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 177.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.6 p -73.91 -0.13 15.15 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.218 1.407 . . . . 0.0 114.619 -178.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -60.79 144.75 51.88 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.934 1.294 . . . . 0.0 113.82 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.47 155.73 40.86 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.559 1.144 . . . . 0.0 112.192 169.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.3 t -142.25 160.72 39.69 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.445 1.498 . . . . 0.0 112.441 178.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.83 -5.36 59.25 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.921 1.289 . . . . 0.0 113.69 170.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 61.2 mt -130.54 128.57 63.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 124.981 1.312 . . . . 0.0 110.219 -172.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -59.99 -39.15 84.74 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.923 0.889 . . . . 0.0 112.919 179.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.54 -33.83 74.5 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 174.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -76.27 -20.79 57.03 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.521 -0.737 . . . . 0.0 112.365 175.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.0 tp -78.39 -44.73 24.16 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.179 0.899 . . . . 0.0 110.748 166.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -53.76 -47.63 70.52 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.193 0.906 . . . . 0.0 111.777 176.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.8 -33.65 64.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 123.761 0.824 . . . . 0.0 112.339 -177.433 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -68.69 -39.08 80.69 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.63 1.172 . . . . 0.0 112.417 178.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 65.8 mt -64.84 -23.68 67.31 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.973 0.909 . . . . 0.0 112.679 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 . . . . . 0 N--CA 1.478 0.971 0 C-N-CA 124.027 0.931 . . . . 0.0 112.385 174.978 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.416 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.3 t -67.83 139.9 56.57 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 122.182 0.992 . . . . 0.0 111.582 171.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -83.22 -4.98 58.96 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.774 0.83 . . . . 0.0 111.776 173.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -119.61 -26.21 5.79 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.994 1.318 . . . . 0.0 113.434 -170.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.1 p -141.39 -175.69 4.45 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.492 1.117 . . . . 0.0 113.159 169.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.2 m -74.2 3.91 6.46 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.365 1.466 . . . . 0.0 114.081 176.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -61.2 147.2 45.04 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.233 1.013 . . . . 0.0 113.339 -178.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.3 p -144.0 149.46 36.75 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.386 1.474 . . . . 0.0 112.23 173.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.8 t -145.49 154.32 42.09 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.228 1.011 . . . . 0.0 112.025 174.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -83.83 -3.66 58.05 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.464 1.105 . . . . 0.0 113.132 176.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.5 m -124.31 127.43 47.61 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.419 1.488 . . . . 0.0 111.526 178.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -69.48 -33.98 73.68 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.334 1.053 . . . . 0.0 113.053 -174.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.15 -35.4 91.66 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 123.923 0.773 . . . . 0.0 113.049 173.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 63.5 m170 -72.26 -32.2 66.46 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.363 -1.08 . . . . 0.0 112.129 175.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.7 tp -62.42 -43.4 98.91 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.077 0.853 . . . . 0.0 111.271 169.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -57.71 -50.11 74.28 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.771 -0.581 . . . . 0.0 111.025 173.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 83.5 t -60.04 -40.25 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 CA-C-N 118.767 0.712 . . . . 0.0 111.93 177.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -56.97 -47.35 80.96 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.346 0.659 . . . . 0.0 111.676 175.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 84.2 mt -70.33 -40.31 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 120.836 -1.165 . . . . 0.0 111.304 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -68.62 -12.68 61.66 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.183 1.393 . . . . 0.0 114.318 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -113.87 -41.54 3.55 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 176.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.7 t -89.46 -47.49 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 123.016 0.527 . . . . 0.0 111.074 -174.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -104.21 21.46 16.49 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.431 1.492 . . . . 0.0 113.629 -176.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.2 tptt . . . . . 0 CA--C 1.544 0.72 0 C-N-CA 125.338 1.455 . . . . 0.0 111.607 178.251 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 43.2 p-80 -131.68 147.4 52.51 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.888 1.275 . . . . 0.0 111.673 167.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 53.9 t -68.11 130.92 44.38 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.194 1.398 . . . . 0.0 112.064 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.64 -2.35 38.67 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 176.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -112.18 -36.14 5.42 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.643 1.177 . . . . 0.0 113.194 177.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.274 15.5 p -131.41 9.32 4.71 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 116.389 1.996 . . . . 0.0 116.389 -175.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 91.4 mttt 56.8 6.76 0.33 Allowed 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 127.888 2.475 . . . . 0.0 116.546 174.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.4 mttp -61.25 134.05 56.57 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 127.471 2.308 . . . . 0.0 111.238 172.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -82.82 140.68 32.81 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.56 0.744 . . . . 0.0 111.827 176.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -126.71 131.12 51.44 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.179 1.392 . . . . 0.0 111.363 -177.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.8 m -69.67 -13.41 62.29 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.959 1.304 . . . . 0.0 114.121 -173.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -148.99 141.84 24.65 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 125.358 1.463 . . . . 0.0 109.635 169.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.8 p -54.64 -38.44 42.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-O 118.694 -0.67 . . . . 0.0 111.547 171.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -60.58 -37.52 81.59 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.853 1.206 . . . . 0.0 112.174 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -76.45 -27.63 56.25 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 122.846 0.458 . . . . 0.0 112.196 175.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.5 tp -64.0 -41.06 97.61 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.605 -0.684 . . . . 0.0 111.522 169.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 19.3 mm -60.38 -44.92 97.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 CA-C-N 118.537 0.608 . . . . 0.0 110.112 175.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -42.04 87.57 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.819 0.847 . . . . 0.0 112.029 177.432 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -62.3 -44.21 97.03 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.813 1.245 . . . . 0.0 113.034 171.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 57.8 mt -63.4 -42.28 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 O-C-N 121.288 -0.882 . . . . 0.0 110.83 176.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -62.33 -23.07 66.55 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 173.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -97.22 -44.45 6.92 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.466 1.106 . . . . 0.0 113.869 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -105.72 -24.85 12.43 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.236 1.414 . . . . 0.0 114.235 -170.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 61.1 m-70 . . . . . 0 CA--C 1.548 0.868 0 C-N-CA 125.344 1.458 . . . . 0.0 112.424 -175.103 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.0 mttt . . . . . 0 N--CA 1.478 0.965 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -61.66 -29.48 83.95 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 124.543 3.496 . . . . 0.0 115.328 -175.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -86.09 102.41 13.82 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.296 0.638 . . . . 0.0 111.064 -177.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -98.06 149.81 22.09 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.522 1.529 . . . . 0.0 111.867 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.7 t -76.73 135.94 67.61 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 124.365 1.066 . . . . 0.0 110.323 170.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -77.88 -9.83 16.86 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 123.801 3.001 . . . . 0.0 112.45 174.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -114.43 -24.71 8.72 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -172.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.5 p -142.37 -175.53 4.48 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 174.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.4 p -74.49 0.14 15.7 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.399 1.479 . . . . 0.0 114.64 -178.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -59.95 145.14 47.13 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.974 1.309 . . . . 0.0 114.042 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.78 155.01 39.39 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.665 1.186 . . . . 0.0 112.139 169.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.6 t -147.41 167.21 24.94 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.837 1.255 . . . . 0.0 112.725 174.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.61 -2.49 58.65 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.246 1.419 . . . . 0.0 114.396 176.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 63.9 mt -132.24 133.84 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 125.233 1.413 . . . . 0.0 110.31 -171.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -63.1 -39.36 94.47 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.156 0.982 . . . . 0.0 112.881 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.09 -33.85 75.2 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.025 0.93 . . . . 0.0 113.127 175.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -68.52 -38.49 80.94 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.469 -0.769 . . . . 0.0 111.396 174.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.1 tp -64.99 -45.25 86.4 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.247 -0.908 . . . . 0.0 111.495 171.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -54.41 -47.25 72.99 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.248 0.931 . . . . 0.0 111.765 175.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.1 -35.18 67.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-O 121.102 0.477 . . . . 0.0 112.225 -176.114 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -65.91 -41.52 91.33 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.073 0.949 . . . . 0.0 112.582 177.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.7 mt -60.47 -21.91 62.91 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.339 1.056 . . . . 0.0 113.263 -178.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 . . . . . 0 N--CA 1.474 0.756 0 C-N-CA 124.864 1.266 . . . . 0.0 113.235 178.62 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.506 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.2 t -67.45 143.04 56.45 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 122.188 0.994 . . . . 0.0 111.727 171.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -82.45 -5.53 58.74 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.916 0.886 . . . . 0.0 112.053 175.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -121.62 -26.67 4.87 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.719 1.208 . . . . 0.0 113.674 -170.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.3 p -139.3 -176.61 4.59 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.427 1.091 . . . . 0.0 113.156 171.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.5 p -76.26 5.38 7.07 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.636 1.574 . . . . 0.0 114.363 176.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -60.22 146.35 43.94 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 123.945 0.898 . . . . 0.0 112.691 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 79.6 p -138.3 152.56 48.63 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 125.006 1.322 . . . . 0.0 112.064 170.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 10.8 t -141.3 153.37 45.14 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.033 0.933 . . . . 0.0 112.581 -174.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -90.45 0.8 57.16 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.118 1.367 . . . . 0.0 113.08 172.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.9 t -136.67 124.29 22.32 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.658 1.583 . . . . 0.0 111.186 174.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.3 pttt -62.27 -32.34 73.04 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.541 1.136 . . . . 0.0 112.501 172.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.85 -30.91 65.24 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 123.884 0.754 . . . . 0.0 113.361 176.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -78.09 -33.28 50.8 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.447 1.124 . . . . 0.0 112.147 169.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 66.4 tp -60.46 -38.83 85.45 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 121.461 -0.775 . . . . 0.0 111.894 172.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -55.47 -50.73 69.11 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 121.735 -0.603 . . . . 0.0 111.16 169.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.8 t -61.54 -39.12 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 122.864 0.465 . . . . 0.0 111.729 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -57.42 -45.99 84.02 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.388 0.675 . . . . 0.0 111.808 174.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.1 mt -70.34 -40.87 78.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 O-C-N 121.018 -1.051 . . . . 0.0 110.983 177.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -69.03 -13.59 62.54 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.345 1.458 . . . . 0.0 114.166 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -110.12 -41.74 4.36 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 175.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.5 t -90.25 -46.29 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 CA-C-N 118.301 0.501 . . . . 0.0 111.285 -173.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -105.21 19.05 21.27 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.104 1.362 . . . . 0.0 114.275 -173.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.472 0.66 0 C-N-CA 125.605 1.562 . . . . 0.0 110.943 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 . . . . . 0 N--CA 1.471 0.603 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 42.7 p-80 -134.93 145.74 48.48 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.144 0.977 . . . . 0.0 111.708 167.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 41.4 t -75.29 128.24 34.97 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.432 1.493 . . . . 0.0 110.158 170.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -12.59 59.96 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 178.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -92.1 -33.86 14.59 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -176.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 29.3 p -130.57 2.27 4.53 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 115.25 1.574 . . . . 0.0 115.25 -178.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp 59.28 17.62 5.93 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 126.494 1.918 . . . . 0.0 114.854 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -69.59 134.63 49.01 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.076 1.35 . . . . 0.0 110.437 172.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -87.56 143.74 27.05 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.607 0.763 . . . . 0.0 111.9 176.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -127.52 137.22 52.57 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.29 1.436 . . . . 0.0 111.596 -175.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 36.4 m -88.57 -8.71 54.28 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.46 1.104 . . . . 0.0 113.64 -178.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -143.3 135.44 26.97 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 125.286 1.434 . . . . 0.0 109.802 173.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 10.0 p -59.85 -36.67 67.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-O 119.006 -0.521 . . . . 0.0 111.116 172.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -63.07 -34.52 77.76 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.454 1.024 . . . . 0.0 112.442 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -74.83 -32.01 61.84 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 122.965 0.506 . . . . 0.0 112.136 175.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.2 tp -62.34 -39.7 93.94 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.405 0.682 . . . . 0.0 112.004 172.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 16.9 mm -60.81 -51.05 77.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 118.458 0.572 . . . . 0.0 110.225 177.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.2 tttm -58.06 -43.04 86.69 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 176.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -56.48 -45.46 80.93 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.415 0.686 . . . . 0.0 112.137 174.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 66.9 mt -65.84 -45.36 91.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 O-C-N 121.493 -0.754 . . . . 0.0 110.936 176.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -64.46 -26.07 68.28 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 178.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -97.82 -37.73 9.73 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.482 1.113 . . . . 0.0 113.96 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.35 -23.16 12.32 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -173.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 . . . . . 0 CA--C 1.547 0.861 0 C-N-CA 125.583 1.553 . . . . 0.0 112.765 -175.912 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.4 mttt . . . . . 0 CA--C 1.544 0.73 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 20' ' ' ALA . 53.0 Cg_endo -71.78 -27.88 17.51 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 124.268 3.312 . . . . 0.0 115.27 -177.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -82.65 98.38 9.0 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.407 0.549 . . . . 0.0 110.886 -175.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -92.05 148.64 22.03 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 126.076 1.75 . . . . 0.0 112.249 -178.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.1 t -76.73 133.45 70.17 Favored Pre-proline 0 CA--C 1.548 0.867 0 C-N-CA 124.365 1.066 . . . . 0.0 109.863 169.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -77.74 -6.65 16.22 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 123.982 3.122 . . . . 0.0 112.217 172.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -113.75 -28.24 7.51 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.815 1.246 . . . . 0.0 113.246 -170.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.3 p -143.3 -173.31 3.9 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.054 0.941 . . . . 0.0 113.001 174.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.0 p -75.4 0.22 17.7 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.317 1.447 . . . . 0.0 114.787 -177.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -61.17 146.09 48.81 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.157 1.383 . . . . 0.0 114.227 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.91 153.09 36.09 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.11 1.364 . . . . 0.0 111.872 169.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.8 t -146.15 153.09 40.27 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 174.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.441 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -62.45 -14.45 41.14 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.981 1.712 . . . . 0.0 115.252 168.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.9 mt -126.07 133.43 68.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.234 1.014 . . . . 0.0 111.381 -169.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -61.01 -43.36 99.0 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.108 1.363 . . . . 0.0 112.68 176.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.4 -35.28 73.66 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.66 0.784 . . . . 0.0 113.092 175.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -68.2 -39.33 82.46 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.637 -0.664 . . . . 0.0 111.635 174.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.3 tp -63.93 -45.74 87.91 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.15 -0.969 . . . . 0.0 111.478 171.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -56.0 -45.27 79.1 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 118.896 0.771 . . . . 0.0 111.748 177.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.22 -36.38 67.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 123.162 0.585 . . . . 0.0 112.178 -177.055 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -64.01 -41.69 97.39 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.534 1.134 . . . . 0.0 112.88 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.7 mt -59.72 -23.99 63.62 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.893 0.877 . . . . 0.0 112.969 -178.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 . . . . . 0 N--CA 1.473 0.677 0 C-N-CA 124.582 1.153 . . . . 0.0 113.138 -178.037 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.492 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.6 t -66.89 142.97 57.12 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 122.117 0.96 . . . . 0.0 111.763 171.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -83.11 -5.71 59.21 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.768 0.827 . . . . 0.0 111.937 175.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -120.42 -26.95 5.29 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.547 1.139 . . . . 0.0 113.498 -171.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.1 p -138.94 -178.07 5.16 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.171 0.989 . . . . 0.0 113.12 171.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.6 p -75.43 5.42 5.83 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.495 1.518 . . . . 0.0 114.293 177.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -62.07 148.25 44.79 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 124.916 1.286 . . . . 0.0 112.966 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.9 p -138.85 151.47 47.03 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 125.088 1.355 . . . . 0.0 111.89 170.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.9 t -142.41 152.75 43.11 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.201 1.001 . . . . 0.0 112.012 178.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -85.02 2.46 43.1 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.952 1.301 . . . . 0.0 113.326 177.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.9 t -136.32 130.49 32.99 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.642 1.577 . . . . 0.0 111.368 172.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.2 pttt -64.9 -31.69 73.04 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 125.01 1.324 . . . . 0.0 112.667 173.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.4 -38.11 62.48 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 123.541 0.591 . . . . 0.0 112.653 176.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 63.6 m170 -71.65 -33.12 68.64 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.312 -1.11 . . . . 0.0 112.12 171.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.0 tp -63.61 -40.54 97.16 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.343 -0.848 . . . . 0.0 112.299 170.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -57.08 -47.73 80.3 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 121.588 -0.695 . . . . 0.0 110.697 171.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 75.5 t -61.0 -40.75 86.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 CA-C-N 118.577 0.626 . . . . 0.0 111.859 177.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -56.87 -46.12 82.04 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.512 0.725 . . . . 0.0 112.002 174.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 94.4 mt -71.08 -41.59 76.27 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 O-C-N 120.782 -1.199 . . . . 0.0 111.238 178.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -64.53 -20.4 66.2 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.339 1.455 . . . . 0.0 113.912 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.8 ptt180 -106.83 -40.69 5.42 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 179.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.4 t -91.47 -44.81 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-N 118.268 0.485 . . . . 0.0 111.432 -174.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -111.67 18.86 18.62 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 -170.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.4 tmmm? . . . . . 0 N--CA 1.47 0.553 0 C-N-CA 125.635 1.574 . . . . 0.0 110.604 177.166 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 . . . . . 0 CA--C 1.538 0.487 0 N-CA-C 111.55 0.204 . . . . 0.0 111.55 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 25.4 p-80 -131.48 148.75 52.67 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.81 0.844 . . . . 0.0 112.568 171.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 53.7 t -69.28 135.82 51.02 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.975 1.31 . . . . 0.0 113.204 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -23.92 66.1 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.73 1.612 . . . . 0.0 113.176 176.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -108.89 -32.53 7.25 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 -168.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.1 p -130.9 2.59 4.39 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 115.397 1.629 . . . . 0.0 115.397 -178.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp 57.61 13.81 2.09 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 126.503 1.921 . . . . 0.0 115.38 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 41.6 tttp -61.03 135.35 57.76 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.266 1.426 . . . . 0.0 110.385 172.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -89.64 142.68 27.46 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.809 0.844 . . . . 0.0 112.448 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -133.19 129.63 38.04 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.036 1.734 . . . . 0.0 111.753 -172.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 26.7 m -78.86 -12.42 60.03 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 114.109 1.152 . . . . 0.0 114.109 -176.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -138.38 136.11 36.0 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.463 1.505 . . . . 0.0 109.588 171.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.3 p -59.58 -36.73 66.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 118.92 -0.562 . . . . 0.0 111.482 173.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -62.81 -36.37 82.96 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.652 1.115 . . . . 0.0 111.991 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -72.73 -31.35 64.89 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 175.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.9 tp -63.05 -40.44 97.7 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 118.31 0.505 . . . . 0.0 112.008 171.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 16.6 mm -61.08 -46.56 96.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 CA-C-N 118.498 0.59 . . . . 0.0 110.206 176.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -59.67 -41.2 90.13 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.425 0.69 . . . . 0.0 111.983 177.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 63.9 t60 -60.19 -44.8 94.8 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.903 0.881 . . . . 0.0 112.822 171.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 63.5 mt -64.08 -43.36 97.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 O-C-N 121.228 -0.92 . . . . 0.0 110.914 176.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -64.29 -23.38 67.28 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 175.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -97.0 -42.67 7.79 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.524 1.13 . . . . 0.0 113.482 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -104.43 -24.86 13.0 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.704 1.202 . . . . 0.0 114.19 -171.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 . . . . . 0 CA--C 1.547 0.849 0 C-N-CA 125.12 1.368 . . . . 0.0 113.257 -172.15 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.6 mttt . . . . . 0 CA--C 1.547 0.853 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.443 ' HD2' ' HA ' ' A' ' 20' ' ' ALA . 38.0 Cg_endo -67.27 -30.88 36.64 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 124.215 3.277 . . . . 0.0 115.244 -177.248 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -81.51 106.58 13.57 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.116 0.566 . . . . 0.0 110.687 -175.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -99.17 149.41 23.1 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.267 1.427 . . . . 0.0 112.294 -175.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.2 t -76.26 133.06 72.12 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 123.688 0.795 . . . . 0.0 109.99 170.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -77.49 -6.98 16.68 Favored 'Trans proline' 0 CA--C 1.542 0.918 0 C-N-CA 123.83 3.02 . . . . 0.0 112.226 172.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -113.49 -28.67 7.45 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.861 1.265 . . . . 0.0 113.128 -170.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.4 p -143.54 -172.94 3.82 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.988 0.915 . . . . 0.0 113.14 175.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.9 p -76.0 0.74 17.5 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.367 1.467 . . . . 0.0 114.681 -177.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -61.16 147.03 45.47 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.169 1.388 . . . . 0.0 114.126 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.24 152.9 37.97 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.291 1.436 . . . . 0.0 111.739 172.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.6 t -147.61 152.72 38.37 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 171.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.443 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -62.11 -14.09 33.3 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 115.833 1.79 . . . . 0.0 115.833 168.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 49.4 mt -127.29 135.06 64.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 124.456 1.102 . . . . 0.0 111.195 -169.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -61.69 -42.57 99.11 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.349 1.06 . . . . 0.0 112.675 176.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.62 -35.99 75.45 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.821 0.848 . . . . 0.0 112.785 175.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -70.5 -26.55 63.65 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.646 -0.658 . . . . 0.0 112.477 175.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.7 tp -74.93 -45.62 41.27 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.342 0.974 . . . . 0.0 111.043 168.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -54.83 -45.36 74.45 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 118.869 0.759 . . . . 0.0 111.732 177.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.44 -35.32 66.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 123.611 0.764 . . . . 0.0 112.375 -176.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -65.61 -41.29 92.89 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.583 1.153 . . . . 0.0 112.668 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.8 mt -59.81 -24.8 64.44 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.807 0.843 . . . . 0.0 112.601 -178.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 . . . . . 0 N--CA 1.471 0.603 0 C-N-CA 124.888 1.275 . . . . 0.0 112.817 178.885 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.463 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.8 t -68.93 140.3 55.1 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 122.223 1.011 . . . . 0.0 111.738 172.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -83.62 -5.3 59.14 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.867 0.867 . . . . 0.0 111.805 173.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -119.86 -26.72 5.56 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.986 1.314 . . . . 0.0 113.475 -170.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 29.2 p -139.88 -176.55 4.62 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.097 0.959 . . . . 0.0 113.214 170.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.1 m -73.42 3.65 5.73 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.281 1.432 . . . . 0.0 113.968 176.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -60.79 145.08 51.08 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.279 1.032 . . . . 0.0 113.212 -179.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 34.2 p -143.7 150.52 38.8 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 125.602 1.561 . . . . 0.0 112.033 172.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.7 t -145.36 164.57 31.06 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.807 1.243 . . . . 0.0 111.584 175.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.4 mp -91.77 12.03 22.7 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.193 1.397 . . . . 0.0 113.322 170.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.9 t -132.26 125.73 31.74 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.179 1.391 . . . . 0.0 112.599 172.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.2 pttt -61.36 -34.11 74.75 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.37 1.468 . . . . 0.0 112.039 169.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.44 -42.6 81.28 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 123.951 0.786 . . . . 0.0 112.489 176.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -70.23 -34.28 72.69 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.579 -0.953 . . . . 0.0 112.157 174.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 61.4 tp -58.9 -43.09 90.95 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 118.954 0.797 . . . . 0.0 111.866 170.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -59.83 -48.79 80.26 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.692 -0.63 . . . . 0.0 110.979 175.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 89.4 t -61.91 -39.37 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 122.891 0.477 . . . . 0.0 111.692 178.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -58.17 -45.02 88.24 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.819 0.848 . . . . 0.0 112.031 175.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 88.3 mt -70.56 -40.73 77.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 O-C-N 120.976 -1.078 . . . . 0.0 111.05 177.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -67.12 -18.51 65.33 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.926 1.29 . . . . 0.0 113.987 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -105.2 -42.04 5.39 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.547 1.139 . . . . 0.0 113.905 178.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 23.7 t -92.36 -44.29 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 CA-C-N 118.188 0.449 . . . . 0.0 111.647 -173.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -110.02 22.09 16.02 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.135 1.374 . . . . 0.0 113.671 -172.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.5 tmmm? . . . . . 0 N--CA 1.469 0.481 0 C-N-CA 125.803 1.641 . . . . 0.0 110.317 172.831 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 . . . . . 0 CA--C 1.544 0.737 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 30.2 p-80 -140.06 153.69 46.85 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 170.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.0 t -75.5 129.98 38.15 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.101 1.76 . . . . 0.0 112.24 178.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.0 -10.97 59.72 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 177.232 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -98.23 -34.49 10.7 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -178.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 23.7 p -131.19 3.34 4.32 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 -177.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt 58.61 14.19 2.97 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 126.587 1.955 . . . . 0.0 115.062 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -67.31 137.67 56.23 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.865 1.266 . . . . 0.0 110.795 174.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -86.39 144.79 27.15 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.07 0.948 . . . . 0.0 112.406 176.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -132.81 143.78 49.78 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.807 2.043 . . . . 0.0 110.978 -175.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 48.8 m -95.76 1.57 53.39 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -175.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -152.06 145.2 24.6 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 125.302 1.441 . . . . 0.0 109.775 168.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.6 p -63.68 -39.14 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 CA-C-O 118.773 -0.632 . . . . 0.0 111.995 176.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -65.92 -34.02 77.17 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 120.01 1.277 . . . . 0.0 111.548 179.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -70.44 -33.06 70.87 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 173.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.34 -40.74 97.36 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.777 -0.577 . . . . 0.0 111.906 170.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 15.7 mm -62.32 -45.05 99.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 O-C-N 121.581 -0.699 . . . . 0.0 110.61 175.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -59.45 -40.88 88.29 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.241 0.616 . . . . 0.0 111.778 177.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -60.07 -46.61 88.98 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.859 0.864 . . . . 0.0 112.874 170.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 57.9 mt -61.75 -43.84 97.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-N 118.923 0.783 . . . . 0.0 110.768 177.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -63.09 -23.27 67.36 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 176.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -97.08 -43.88 7.22 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.456 1.102 . . . . 0.0 113.557 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -103.27 -25.93 13.15 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.018 1.327 . . . . 0.0 114.226 -171.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 . . . . . 0 CA--C 1.549 0.912 0 C-N-CA 125.844 1.658 . . . . 0.0 111.746 -175.805 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.9 mtmt . . . . . 0 N--CA 1.48 1.049 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -60.92 -28.4 86.28 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 124.929 3.753 . . . . 0.0 115.478 -173.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -87.29 103.33 15.36 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.321 0.648 . . . . 0.0 111.068 -178.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -100.11 149.81 23.13 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.569 1.548 . . . . 0.0 112.002 -178.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.1 t -75.71 136.91 70.41 Favored Pre-proline 0 CA--C 1.547 0.841 0 C-N-CA 124.294 1.038 . . . . 0.0 110.621 170.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -77.89 -10.61 16.78 Favored 'Trans proline' 0 CA--C 1.541 0.843 0 C-N-CA 123.842 3.028 . . . . 0.0 112.465 174.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -112.22 -26.65 8.69 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -173.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.7 p -142.05 -176.26 4.73 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 176.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.9 p -73.9 0.45 13.35 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.339 1.455 . . . . 0.0 114.532 -178.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -60.2 144.83 49.15 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.795 1.238 . . . . 0.0 113.81 178.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.43 156.13 40.89 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.711 1.204 . . . . 0.0 112.091 169.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.4 t -146.67 164.74 31.72 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.816 1.246 . . . . 0.0 112.667 173.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.21 -3.86 57.83 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.212 1.405 . . . . 0.0 114.442 173.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 61.4 mt -130.96 134.12 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.131 1.373 . . . . 0.0 109.97 -171.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -66.35 -37.95 86.49 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.405 -0.81 . . . . 0.0 112.914 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.47 -35.75 70.58 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.444 0.698 . . . . 0.0 112.701 175.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -68.56 -38.89 81.13 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.63 0.772 . . . . 0.0 111.872 173.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.8 tp -65.2 -45.61 84.1 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.054 -1.029 . . . . 0.0 111.826 171.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -55.05 -45.43 75.29 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.96 0.8 . . . . 0.0 111.34 176.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.5 -36.99 68.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 123.219 0.608 . . . . 0.0 112.396 -177.089 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -62.67 -41.21 98.95 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.224 1.01 . . . . 0.0 112.789 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 65.4 mt -58.22 -26.69 63.14 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.938 0.895 . . . . 0.0 112.805 -177.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.9 mtp85 . . . . . 0 N--CA 1.474 0.774 0 C-N-CA 125.186 1.395 . . . . 0.0 113.635 -179.298 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.597 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.8 t -67.94 143.73 55.52 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 122.252 1.025 . . . . 0.0 112.118 170.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -83.43 -7.24 59.59 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.004 0.922 . . . . 0.0 112.003 175.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -118.64 -27.25 5.93 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.595 1.158 . . . . 0.0 113.463 -172.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.1 p -139.56 -179.33 5.84 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 173.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.8 m -73.31 5.02 3.92 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.271 1.428 . . . . 0.0 114.086 177.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 94.1 t80 -60.87 146.61 45.89 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 124.165 0.986 . . . . 0.0 112.593 178.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.4 p -138.9 152.82 48.08 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 124.975 1.31 . . . . 0.0 111.937 170.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 10.5 t -140.55 153.86 46.3 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.344 1.057 . . . . 0.0 111.914 -176.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -88.08 0.39 56.04 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.091 1.356 . . . . 0.0 112.505 171.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.1 t -131.09 122.79 27.33 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.852 1.661 . . . . 0.0 111.575 174.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -60.04 -31.37 69.91 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.748 1.219 . . . . 0.0 112.947 171.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -77.44 -37.71 30.59 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.241 0.924 . . . . 0.0 112.818 -178.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -72.58 -33.38 66.71 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 118.875 1.337 . . . . 0.0 111.143 172.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.2 tp -57.34 -37.51 72.67 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.188 -0.945 . . . . 0.0 112.415 173.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 65.6 tttt -60.28 -49.18 78.61 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.455 -0.778 . . . . 0.0 110.408 171.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.0 t -59.11 -42.52 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 CA-C-N 118.759 0.709 . . . . 0.0 112.071 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -54.14 -42.65 69.78 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.978 0.911 . . . . 0.0 111.936 173.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 81.4 mt -71.6 -40.36 70.98 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 O-C-N 120.877 -1.139 . . . . 0.0 111.15 174.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -63.55 -20.26 65.48 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.621 1.169 . . . . 0.0 114.097 178.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -108.82 -39.42 5.34 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.801 1.24 . . . . 0.0 113.906 -177.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.3 t -93.63 -42.57 13.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-N 118.049 0.386 . . . . 0.0 111.744 -175.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -116.34 18.29 15.27 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 115.213 1.56 . . . . 0.0 115.213 -169.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.7 tmmm? . . . . . 0 N--CA 1.472 0.664 0 C-N-CA 125.043 1.337 . . . . 0.0 111.523 -177.428 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 . . . . . 0 CA--C 1.538 0.511 0 N-CA-C 110.711 -0.107 . . . . 0.0 110.711 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 43.9 p-80 -140.54 148.8 41.57 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.265 -0.897 . . . . 0.0 113.264 169.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 51.7 t -77.69 125.58 29.55 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.369 1.468 . . . . 0.0 109.95 169.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.45 -18.48 59.87 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 176.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -85.52 -34.6 21.51 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.91 0.884 . . . . 0.0 113.365 -174.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.0 p -128.69 3.98 5.5 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm 60.73 15.68 6.05 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 126.832 2.053 . . . . 0.0 115.103 177.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -69.99 140.79 52.98 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.159 1.784 . . . . 0.0 111.365 175.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -95.42 146.16 24.61 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.251 1.021 . . . . 0.0 111.431 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -134.22 130.09 36.67 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.502 1.521 . . . . 0.0 112.193 -171.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 55.4 p -81.97 -14.47 55.99 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.487 1.515 . . . . 0.0 113.922 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -137.47 134.69 36.07 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 125.524 1.53 . . . . 0.0 109.976 172.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.6 p -60.27 -35.98 65.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 118.956 -0.545 . . . . 0.0 111.481 173.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -62.24 -37.53 85.77 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 119.531 1.06 . . . . 0.0 111.892 179.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -72.34 -30.81 65.09 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 174.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.9 tp -62.1 -42.63 99.41 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 118.782 0.719 . . . . 0.0 111.565 170.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 12.8 mm -61.86 -48.07 90.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-N 118.722 0.692 . . . . 0.0 110.486 177.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -59.03 -40.79 86.1 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.901 0.88 . . . . 0.0 112.113 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -61.61 -46.32 90.31 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.203 1.001 . . . . 0.0 112.924 171.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 58.9 mt -62.52 -42.48 95.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 CA-C-N 119.121 0.873 . . . . 0.0 110.726 176.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -63.19 -24.52 67.92 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 175.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -97.27 -45.1 6.63 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.727 1.211 . . . . 0.0 113.421 -179.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -99.73 -26.08 14.17 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.043 1.337 . . . . 0.0 114.024 -172.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 59.2 m-70 . . . . . 0 CA--C 1.546 0.799 0 C-N-CA 125.133 1.373 . . . . 0.0 113.215 -170.688 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.0 mttt . . . . . 0 CA--C 1.547 0.854 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 20' ' ' ALA . 57.0 Cg_endo -72.99 -30.54 10.8 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 124.199 3.266 . . . . 0.0 115.228 -178.418 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -81.96 104.25 12.18 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.066 0.546 . . . . 0.0 110.875 -173.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -93.11 149.68 21.05 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.03 1.332 . . . . 0.0 112.351 -174.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.4 t -77.74 132.32 68.59 Favored Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 123.743 0.817 . . . . 0.0 109.537 169.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -77.24 -6.11 16.23 Favored 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 123.821 3.014 . . . . 0.0 112.278 173.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -115.34 -27.67 7.15 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.844 1.257 . . . . 0.0 113.359 -169.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.8 p -144.5 -174.6 4.36 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.85 0.86 . . . . 0.0 113.234 174.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.0 m -72.63 -0.08 12.01 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.344 1.458 . . . . 0.0 114.617 -177.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -62.34 145.67 53.23 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.955 1.302 . . . . 0.0 113.871 -178.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -144.47 149.61 36.27 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.574 1.55 . . . . 0.0 110.878 172.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.4 p -143.92 143.2 31.16 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.619 1.167 . . . . 0.0 113.37 -174.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.402 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -67.3 -13.72 62.25 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 116.209 1.929 . . . . 0.0 116.209 171.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 65.8 mt -137.12 131.29 45.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.091 1.357 . . . . 0.0 109.802 -169.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -62.42 -35.71 80.1 Favored 'General case' 0 N--CA 1.479 0.975 0 O-C-N 121.314 -0.866 . . . . 0.0 113.171 178.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.13 -35.54 71.65 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.039 0.836 . . . . 0.0 112.61 172.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 -74.75 -23.36 58.54 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.643 0.777 . . . . 0.0 112.452 175.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.4 tp -76.28 -46.65 26.92 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.299 -0.876 . . . . 0.0 111.097 167.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -54.08 -44.43 71.18 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.794 0.838 . . . . 0.0 111.413 178.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.91 -34.96 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 123.687 0.795 . . . . 0.0 112.484 -178.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -66.92 -39.89 87.5 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.691 1.196 . . . . 0.0 112.748 -179.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.7 mt -60.05 -22.67 62.97 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.991 0.917 . . . . 0.0 113.189 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 . . . . . 0 N--CA 1.475 0.813 0 C-N-CA 125.271 1.428 . . . . 0.0 114.026 -177.675 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.444 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.5 t -68.52 141.3 55.58 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 122.013 0.911 . . . . 0.0 111.683 172.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -84.54 -4.84 59.18 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.822 0.849 . . . . 0.0 111.795 173.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -119.87 -26.79 5.54 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.984 1.314 . . . . 0.0 113.458 -170.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.9 p -139.1 -175.52 4.19 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.423 1.089 . . . . 0.0 112.896 169.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.0 p -76.52 5.12 7.84 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.496 1.518 . . . . 0.0 114.299 177.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -61.67 146.79 48.02 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.807 1.243 . . . . 0.0 113.253 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 79.7 p -140.59 155.85 46.45 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.355 1.462 . . . . 0.0 112.174 169.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.5 t -146.11 157.08 43.83 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.93 0.892 . . . . 0.0 112.408 177.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.33 -3.6 58.89 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.416 1.486 . . . . 0.0 114.098 179.126 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.3 m -134.01 134.48 42.5 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.407 1.483 . . . . 0.0 111.81 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -69.65 -34.72 74.41 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.474 1.11 . . . . 0.0 112.901 -175.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -66.59 -32.76 82.47 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 123.737 0.684 . . . . 0.0 113.253 173.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -74.16 -32.48 63.13 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.294 -1.121 . . . . 0.0 112.091 174.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.62 -43.99 97.83 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.032 0.833 . . . . 0.0 110.987 169.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -56.17 -50.77 70.23 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 118.886 -0.578 . . . . 0.0 111.055 173.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.8 t -60.1 -39.93 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-N 118.775 0.716 . . . . 0.0 111.886 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -57.31 -47.01 82.62 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.257 0.623 . . . . 0.0 112.083 175.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.3 mt -70.29 -40.63 78.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 O-C-N 120.909 -1.119 . . . . 0.0 110.98 178.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -69.0 -12.46 61.7 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.649 1.58 . . . . 0.0 114.403 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -111.65 -40.69 4.25 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 174.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.8 t -90.83 -46.68 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-N 118.329 0.513 . . . . 0.0 111.384 -173.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -108.32 18.84 20.59 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.989 1.316 . . . . 0.0 114.385 -173.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.471 0.576 0 C-N-CA 125.479 1.511 . . . . 0.0 111.021 -176.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 44.1 mm-40 . . . . . 0 N--CA 1.473 0.724 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 42.6 p-80 -131.72 145.13 51.46 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 173.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.1 t -76.02 124.08 26.8 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.543 1.537 . . . . 0.0 109.007 168.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.83 -14.27 59.62 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 175.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -89.32 -36.34 15.6 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.144 0.978 . . . . 0.0 113.001 -177.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.269 16.7 p -129.86 10.62 5.53 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 116.1 1.889 . . . . 0.0 116.1 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.0 mmtt 59.54 13.23 3.2 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 127.498 2.319 . . . . 0.0 115.212 172.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 35.8 mttp -72.76 141.55 48.12 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 127.193 2.197 . . . . 0.0 111.473 176.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 63.0 mtpt -96.64 142.6 28.49 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.144 0.978 . . . . 0.0 111.752 175.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -125.9 141.86 51.78 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.911 1.684 . . . . 0.0 113.039 -169.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 49.2 p -75.73 -20.49 58.29 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.306 1.842 . . . . 0.0 114.724 -172.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -151.67 143.86 23.98 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.887 2.075 . . . . 0.0 107.676 178.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.6 p -56.97 -37.09 52.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 O-C-N 121.56 -0.713 . . . . 0.0 111.25 171.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -62.84 -34.95 78.41 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.485 1.039 . . . . 0.0 112.269 178.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -72.61 -34.87 67.66 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.355 0.662 . . . . 0.0 111.622 175.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.3 tp -61.55 -40.75 95.82 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.448 0.699 . . . . 0.0 112.015 173.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 13.3 mm -61.56 -46.58 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 O-C-N 121.695 -0.628 . . . . 0.0 110.407 177.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -61.75 -40.75 96.22 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.263 0.625 . . . . 0.0 111.887 178.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 64.6 t60 -58.59 -45.1 89.81 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.881 0.872 . . . . 0.0 112.666 170.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 50.0 mt -63.17 -44.24 99.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 O-C-N 121.374 -0.829 . . . . 0.0 111.05 176.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -66.0 -21.8 66.42 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 177.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -97.11 -40.66 8.71 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.62 1.168 . . . . 0.0 113.687 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.23 -25.27 11.58 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -172.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 . . . . . 0 CA--C 1.545 0.759 0 C-N-CA 125.31 1.444 . . . . 0.0 113.249 -173.65 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.5 mttp . . . . . 0 CA--C 1.54 0.584 0 CA-C-O 119.908 -0.091 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -68.57 -27.97 32.16 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.688 2.925 . . . . 0.0 114.172 -178.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -86.97 93.09 9.25 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 121.71 0.767 . . . . 0.0 111.656 -171.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -88.21 149.19 24.0 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.768 2.027 . . . . 0.0 112.464 -177.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.1 t -77.71 136.39 63.32 Favored Pre-proline 0 CA--C 1.548 0.887 0 C-N-CA 124.758 1.223 . . . . 0.0 110.227 169.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -78.69 -9.45 15.86 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 123.884 3.056 . . . . 0.0 112.265 173.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -110.1 -28.96 8.42 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.345 1.058 . . . . 0.0 113.453 -172.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.6 p -142.24 -175.63 4.51 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.791 0.836 . . . . 0.0 113.076 177.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.2 p -74.04 0.03 14.96 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.288 1.435 . . . . 0.0 114.707 -178.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -61.22 145.53 50.88 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.044 1.338 . . . . 0.0 114.035 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.21 152.72 35.05 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.212 1.405 . . . . 0.0 111.344 169.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.5 t -143.43 149.63 37.89 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 173.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.51 -11.21 57.44 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.331 1.852 . . . . 0.0 115.111 167.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.9 mt -120.14 129.44 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.678 1.191 . . . . 0.0 109.638 -179.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -72.88 -30.51 64.01 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 121.204 -0.935 . . . . 0.0 112.395 -177.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.4 -35.11 76.6 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 121.102 -0.999 . . . . 0.0 112.162 169.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -70.77 -18.55 62.76 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.564 0.746 . . . . 0.0 112.985 173.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.0 tp -80.35 -41.8 24.1 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.165 -0.959 . . . . 0.0 111.321 167.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -65.34 -38.46 90.17 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.088 -1.007 . . . . 0.0 112.293 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.2 p -65.86 -32.07 56.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 123.634 0.774 . . . . 0.0 112.445 173.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -75.33 -35.47 61.2 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.84 0.856 . . . . 0.0 112.633 -173.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 72.6 mt -62.76 -21.47 65.87 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.65 0.78 . . . . 0.0 112.607 176.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 . . . . . 0 N--CA 1.476 0.849 0 C-N-CA 124.523 1.129 . . . . 0.0 112.153 174.603 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.505 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.4 t -66.15 143.26 57.39 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 122.191 0.996 . . . . 0.0 111.866 171.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -81.82 -6.35 58.99 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.88 0.872 . . . . 0.0 112.075 175.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -121.26 -27.02 4.95 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.477 1.111 . . . . 0.0 113.619 -171.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.5 p -139.56 -178.82 5.57 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.138 0.975 . . . . 0.0 113.295 172.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.9 m -73.51 4.55 4.72 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.157 1.383 . . . . 0.0 113.997 177.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -61.5 148.4 42.12 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 124.522 1.129 . . . . 0.0 113.084 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.3 p -141.77 152.46 43.79 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 125.223 1.409 . . . . 0.0 112.211 173.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 10.1 t -149.17 156.58 42.38 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.301 1.041 . . . . 0.0 112.138 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 88.6 mt -88.64 -7.26 56.67 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.698 1.199 . . . . 0.0 113.815 174.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.8 t -117.78 128.25 54.69 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.616 1.167 . . . . 0.0 111.21 175.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -67.9 -32.85 73.62 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.614 1.165 . . . . 0.0 111.415 176.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.4 -42.97 80.43 Favored Glycine 0 CA--C 1.531 1.07 0 C-N-CA 124.551 1.072 . . . . 0.0 112.705 173.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -69.3 -33.23 72.86 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.454 1.127 . . . . 0.0 112.237 175.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 70.0 tp -64.98 -40.59 95.19 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.948 0.795 . . . . 0.0 112.169 170.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.6 tttt -57.62 -50.55 72.77 Favored 'General case' 0 C--N 1.341 0.231 0 O-C-N 121.516 -0.74 . . . . 0.0 109.763 171.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.7 t -58.6 -41.27 81.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 CA-C-N 119.104 0.865 . . . . 0.0 112.206 178.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -55.34 -46.65 76.38 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.499 0.72 . . . . 0.0 112.07 174.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 87.7 mt -71.57 -40.06 70.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 O-C-N 120.812 -1.18 . . . . 0.0 111.468 178.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -68.56 -12.91 61.92 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.568 1.547 . . . . 0.0 113.547 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.7 ptt180 -114.21 -42.92 3.27 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.936 1.294 . . . . 0.0 114.403 176.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 40.4 t -88.06 -45.94 15.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-N 118.433 0.56 . . . . 0.0 110.995 -173.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -104.97 19.55 20.39 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.22 1.408 . . . . 0.0 113.593 -175.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? . . . . . 0 CA--C 1.538 0.497 0 C-N-CA 125.203 1.401 . . . . 0.0 111.326 171.742 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 . . . . . 0 CA--C 1.54 0.562 0 N-CA-C 111.281 0.104 . . . . 0.0 111.281 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 46.3 p-80 -141.63 149.46 40.71 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 172.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 44.9 t -78.74 127.94 32.75 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.924 1.69 . . . . 0.0 110.495 169.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.41 -15.81 59.16 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 176.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -87.93 -35.33 17.74 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.704 0.802 . . . . 0.0 113.148 -175.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 25.8 p -130.09 3.33 4.8 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 -178.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.2 mptt 61.0 18.28 8.76 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 126.411 1.884 . . . . 0.0 114.012 176.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -72.13 137.39 46.97 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.419 1.488 . . . . 0.0 110.841 173.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -88.83 145.16 25.74 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.81 0.844 . . . . 0.0 112.341 175.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -132.1 133.55 44.45 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.09 1.756 . . . . 0.0 110.555 -176.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.4 m -87.52 -4.98 58.98 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 -175.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -142.04 142.61 32.89 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 125.586 1.554 . . . . 0.0 108.757 169.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.9 p -59.95 -36.24 65.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 119.063 -0.494 . . . . 0.0 110.639 170.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -52.91 -45.17 67.46 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.022 0.929 . . . . 0.0 112.795 178.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -78.94 -23.72 44.44 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.63 -43.34 97.12 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 119.187 0.903 . . . . 0.0 111.345 169.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.3 mm -61.12 -47.73 92.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 CA-C-N 118.489 0.586 . . . . 0.0 110.271 176.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -57.86 -42.89 85.46 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.67 1.188 . . . . 0.0 112.001 177.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -60.77 -45.17 95.39 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 124.516 1.126 . . . . 0.0 112.906 172.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 58.6 mt -63.26 -42.63 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 O-C-N 121.331 -0.855 . . . . 0.0 110.799 176.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 77.3 mtp85 -64.63 -23.56 67.3 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 175.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -97.06 -41.9 8.14 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.526 1.131 . . . . 0.0 113.516 -178.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -106.04 -24.77 12.31 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.818 1.247 . . . . 0.0 114.168 -171.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 . . . . . 0 CA--C 1.546 0.811 0 C-N-CA 125.154 1.382 . . . . 0.0 113.321 -172.527 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.6 mttt . . . . . 0 CA--C 1.547 0.86 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.454 ' HD2' ' HA ' ' A' ' 20' ' ' ALA . 32.1 Cg_endo -65.63 -31.86 49.01 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 124.251 3.301 . . . . 0.0 115.577 -176.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -81.15 108.58 14.92 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.15 0.58 . . . . 0.0 110.779 -175.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -101.72 149.59 24.0 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.375 1.47 . . . . 0.0 112.615 -174.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.7 t -76.83 136.37 66.9 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 123.88 0.872 . . . . 0.0 110.51 170.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -77.65 -11.07 17.09 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 123.859 3.039 . . . . 0.0 112.461 174.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -112.69 -26.19 8.73 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -173.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.2 p -142.01 -176.83 4.94 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 176.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.3 p -73.25 0.7 11.13 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.307 1.443 . . . . 0.0 114.546 -178.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -60.56 144.83 50.71 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.02 1.328 . . . . 0.0 113.864 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.75 153.91 38.84 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.353 1.461 . . . . 0.0 111.584 172.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.5 t -148.72 152.36 36.5 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 170.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.454 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -62.03 -14.39 35.39 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 115.27 1.581 . . . . 0.0 115.27 168.206 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.1 mt -125.1 133.28 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.558 1.143 . . . . 0.0 111.075 -170.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -63.6 -39.57 94.72 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.229 1.012 . . . . 0.0 112.922 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.27 -34.41 75.13 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.911 0.884 . . . . 0.0 113.052 175.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -68.28 -37.9 81.16 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.494 -0.754 . . . . 0.0 111.572 173.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.2 tp -64.28 -45.98 85.66 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.158 -0.964 . . . . 0.0 111.625 170.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -54.97 -45.55 74.96 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.169 0.895 . . . . 0.0 111.913 177.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.32 -35.75 64.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 123.15 0.58 . . . . 0.0 112.239 -176.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -64.61 -41.24 96.33 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.224 1.009 . . . . 0.0 112.734 179.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.8 mt -59.86 -21.71 61.33 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.319 1.048 . . . . 0.0 113.214 -178.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 . . . . . 0 N--CA 1.475 0.788 0 C-N-CA 124.834 1.254 . . . . 0.0 113.375 179.425 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.563 0 N-CA-C 113.178 0.806 . . . . 0.0 113.178 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.9 t -66.77 142.43 57.38 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 122.133 0.968 . . . . 0.0 111.764 171.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -82.14 -5.9 58.79 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.844 0.858 . . . . 0.0 111.992 175.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -120.88 -26.93 5.11 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.58 1.152 . . . . 0.0 113.683 -170.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.1 p -139.34 -177.06 4.76 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.033 0.933 . . . . 0.0 113.275 171.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.6 p -74.51 3.68 7.24 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.491 1.516 . . . . 0.0 114.206 176.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -60.05 147.51 38.97 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 124.37 1.068 . . . . 0.0 113.023 178.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 38.2 p -142.19 151.15 41.9 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 125.422 1.489 . . . . 0.0 111.843 173.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.6 t -148.67 151.45 34.96 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.045 0.938 . . . . 0.0 111.689 174.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -82.13 -8.93 59.67 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.463 1.105 . . . . 0.0 112.883 173.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.3 m -118.89 111.26 18.16 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.557 1.543 . . . . 0.0 111.249 177.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.1 pttt -58.24 -33.11 68.99 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.938 1.295 . . . . 0.0 113.732 177.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.96 -36.9 92.67 Favored Glycine 0 CA--C 1.536 1.404 0 O-C-N 122.043 -0.411 . . . . 0.0 113.23 175.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -72.95 -35.35 66.95 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.464 1.132 . . . . 0.0 111.941 172.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 62.4 tp -61.26 -39.09 89.07 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 118.675 0.671 . . . . 0.0 112.243 172.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -59.52 -50.09 75.24 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 121.522 -0.736 . . . . 0.0 110.197 172.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 89.0 t -60.15 -39.0 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 118.516 0.598 . . . . 0.0 112.026 177.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 67.9 t60 -57.57 -44.58 85.42 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.813 0.845 . . . . 0.0 112.048 174.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.3 mt -72.36 -38.43 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 O-C-N 120.808 -1.183 . . . . 0.0 111.157 176.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -69.48 -12.66 61.84 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.961 1.304 . . . . 0.0 113.541 178.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.1 ptt180 -112.53 -42.23 3.7 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.953 1.301 . . . . 0.0 114.06 177.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.8 t -90.66 -46.89 14.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 122.81 0.444 . . . . 0.0 111.33 -174.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -107.64 18.36 21.51 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.109 1.364 . . . . 0.0 113.978 -171.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? . . . . . 0 N--CA 1.469 0.503 0 C-N-CA 125.732 1.613 . . . . 0.0 111.232 -177.896 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 18.7 mm100 . . . . . 0 CA--C 1.539 0.525 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 37.9 p-80 -133.43 147.09 51.7 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 43.5 t -73.92 126.33 30.21 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.682 1.593 . . . . 0.0 109.439 169.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.96 -7.7 59.63 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 175.174 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -96.88 -34.78 11.13 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.179 0.992 . . . . 0.0 112.888 -178.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.274 17.4 p -131.74 11.16 4.77 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 116.273 1.953 . . . . 0.0 116.273 179.436 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm 57.01 19.73 4.87 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 126.976 2.11 . . . . 0.0 115.156 173.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.1 mttp -77.6 141.27 39.59 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 127.216 2.207 . . . . 0.0 111.404 176.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -98.02 143.17 28.86 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.347 1.059 . . . . 0.0 112.494 177.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -135.55 114.55 12.16 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.534 1.934 . . . . 0.0 110.596 -173.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.8 m -75.12 -7.68 54.45 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.841 1.257 . . . . 0.0 114.2 -178.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -133.72 120.36 20.47 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.687 1.595 . . . . 0.0 109.153 174.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.0 p -63.27 -35.88 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 O-C-N 121.778 -0.577 . . . . 0.0 112.35 -173.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -58.29 -34.37 70.47 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.145 0.884 . . . . 0.0 112.349 177.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -77.09 -29.12 54.8 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.181 0.592 . . . . 0.0 112.348 176.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.19 -43.4 98.92 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 118.836 0.744 . . . . 0.0 110.987 169.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 15.7 mm -61.29 -46.72 96.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 O-C-N 121.926 -0.484 . . . . 0.0 110.481 176.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -60.09 -44.44 94.82 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.077 0.551 . . . . 0.0 111.465 178.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -58.14 -42.42 85.81 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.584 1.154 . . . . 0.0 113.059 173.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 52.1 mt -64.56 -43.48 96.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 O-C-N 121.329 -0.857 . . . . 0.0 110.745 175.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -68.4 -22.81 64.61 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 115.11 1.522 . . . . 0.0 115.11 174.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -86.93 -45.23 11.01 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.301 1.041 . . . . 0.0 112.528 178.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.58 -25.55 11.3 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 -171.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 . . . . . 0 CA--C 1.545 0.784 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 -169.48 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.3 mttt . . . . . 0 N--CA 1.481 1.107 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -60.66 -29.49 88.53 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 124.519 3.479 . . . . 0.0 114.543 -174.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -92.53 101.8 14.24 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.356 0.662 . . . . 0.0 111.233 -173.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -97.98 150.52 21.28 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.862 1.665 . . . . 0.0 111.785 -177.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.3 t -76.42 136.55 68.18 Favored Pre-proline 0 CA--C 1.548 0.869 0 C-N-CA 124.162 0.985 . . . . 0.0 110.213 169.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -77.57 -10.39 17.24 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 123.882 3.055 . . . . 0.0 112.426 175.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -113.98 -25.94 8.34 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -172.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.7 p -142.57 -178.61 5.85 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.588 0.959 . . . . 0.0 113.588 177.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.7 m -70.98 -0.31 9.07 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.358 1.463 . . . . 0.0 114.594 -176.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -61.28 143.43 55.68 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.021 1.328 . . . . 0.0 113.686 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.7 153.74 36.13 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.141 1.376 . . . . 0.0 111.109 169.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.1 t -145.61 161.59 39.46 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.132 0.973 . . . . 0.0 112.742 175.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.92 1.46 55.37 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.371 1.468 . . . . 0.0 113.403 171.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 57.9 mt -126.23 118.17 50.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 125.353 1.461 . . . . 0.0 108.998 178.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.0 pttt -69.19 -25.03 64.13 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -178.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.62 -30.7 71.72 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.152 0.581 . . . . 0.0 112.397 168.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -71.39 -39.03 71.44 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.951 0.9 . . . . 0.0 110.766 173.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.82 -46.21 91.42 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.298 -0.876 . . . . 0.0 111.862 169.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -55.24 -46.02 76.03 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.36 0.982 . . . . 0.0 111.773 175.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.29 -35.46 62.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 123.175 0.59 . . . . 0.0 112.466 -176.376 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -64.57 -41.85 96.03 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.64 1.176 . . . . 0.0 112.716 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.6 mt -58.85 -23.15 60.36 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.4 1.08 . . . . 0.0 113.361 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.3 mtp-105 . . . . . 0 N--CA 1.474 0.752 0 C-N-CA 125.127 1.371 . . . . 0.0 114.047 -178.895 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.43 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.4 t -68.44 139.57 55.75 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 122.131 0.967 . . . . 0.0 111.513 172.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -83.51 -6.43 59.45 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.714 0.806 . . . . 0.0 111.732 172.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -116.67 -26.53 6.97 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.099 1.36 . . . . 0.0 113.101 -170.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.5 p -141.06 -173.17 3.65 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.468 1.107 . . . . 0.0 112.826 169.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.8 p -76.69 3.93 10.6 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.597 1.559 . . . . 0.0 114.31 176.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -60.79 147.09 43.78 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.281 1.032 . . . . 0.0 113.368 -179.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.2 p -144.35 150.42 37.75 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.491 1.516 . . . . 0.0 112.413 173.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 10.3 t -143.83 157.9 44.06 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.404 1.082 . . . . 0.0 111.824 172.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -83.26 -0.84 51.37 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.669 1.188 . . . . 0.0 113.287 176.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 64.4 m -133.4 129.67 37.66 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.203 1.401 . . . . 0.0 112.134 178.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -60.18 -36.49 77.73 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.238 1.415 . . . . 0.0 114.125 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.4 -34.42 79.66 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 123.176 0.417 . . . . 0.0 112.848 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 53.7 m170 -71.65 -33.72 69.15 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.248 -1.148 . . . . 0.0 112.125 172.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 54.6 tp -61.54 -43.49 98.76 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 118.797 0.726 . . . . 0.0 111.52 169.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.3 tttp -57.35 -52.25 66.1 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 118.548 -0.739 . . . . 0.0 110.11 173.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.7 t -58.27 -40.05 76.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 CA-C-N 119.146 0.885 . . . . 0.0 112.213 178.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -58.22 -46.09 86.5 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.291 0.637 . . . . 0.0 112.446 174.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 80.0 mt -70.77 -38.04 71.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 O-C-N 120.795 -1.19 . . . . 0.0 111.052 177.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -69.75 -11.61 60.99 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.53 1.532 . . . . 0.0 113.639 179.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.4 ptt180 -114.07 -41.47 3.52 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.917 1.287 . . . . 0.0 113.722 177.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.9 t -91.23 -47.81 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 122.952 0.501 . . . . 0.0 111.341 -174.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -106.1 17.62 23.27 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.0 1.32 . . . . 0.0 113.949 -172.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? . . . . . 0 CA--C 1.538 0.504 0 C-N-CA 126.198 1.799 . . . . 0.0 111.358 178.862 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 . . . . . 0 CA--C 1.535 0.376 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 36.2 p-80 -140.22 141.94 35.87 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -171.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 43.1 t -67.24 140.13 57.38 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.908 1.283 . . . . 0.0 112.497 178.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.97 -22.97 52.39 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.84 1.656 . . . . 0.0 113.039 176.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -108.42 -33.13 7.17 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -167.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 22.4 p -127.55 3.45 6.19 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp 57.98 17.81 4.65 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.628 1.971 . . . . 0.0 115.046 178.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -67.56 137.66 55.88 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.466 1.506 . . . . 0.0 110.878 175.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -90.48 144.73 25.5 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.148 0.979 . . . . 0.0 111.532 176.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -130.88 131.86 44.79 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.122 1.369 . . . . 0.0 112.478 -173.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.3 m -76.11 -21.25 56.87 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.441 1.096 . . . . 0.0 113.803 -177.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -136.88 131.04 32.61 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.992 1.717 . . . . 0.0 109.681 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.81 -36.78 78.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 121.74 -0.6 . . . . 0.0 112.516 -174.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -61.18 -33.52 73.57 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 121.199 -0.938 . . . . 0.0 112.254 178.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -76.34 -26.25 55.56 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 174.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.2 tp -64.92 -42.52 94.64 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 119.286 0.948 . . . . 0.0 110.938 169.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 16.0 mm -61.9 -48.44 88.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 O-C-N 121.906 -0.497 . . . . 0.0 110.155 175.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -57.19 -43.03 82.3 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.456 1.102 . . . . 0.0 111.952 177.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -59.59 -44.29 93.4 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.54 1.136 . . . . 0.0 112.844 172.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 59.5 mt -63.12 -44.8 99.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 O-C-N 121.311 -0.868 . . . . 0.0 110.848 175.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -65.48 -25.07 67.32 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 177.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -93.64 -42.04 9.4 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.577 1.151 . . . . 0.0 113.696 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -104.89 -24.46 12.86 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 -171.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 . . . . . 0 CA--C 1.546 0.826 0 C-N-CA 125.011 1.324 . . . . 0.0 113.451 -171.711 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.9 mttt . . . . . 0 N--CA 1.481 1.108 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -62.14 -30.94 82.87 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 124.389 3.393 . . . . 0.0 115.494 -177.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -84.75 102.99 13.45 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.332 0.653 . . . . 0.0 111.257 -175.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -98.91 150.08 22.28 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.746 1.618 . . . . 0.0 112.461 -177.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.1 t -77.26 136.36 65.25 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 124.493 1.117 . . . . 0.0 110.419 170.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -78.16 -10.33 16.44 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 123.838 3.025 . . . . 0.0 112.319 174.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -113.21 -25.83 8.7 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -172.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.9 p -142.88 -177.84 5.52 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 175.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.8 m -71.61 0.75 7.88 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.242 1.417 . . . . 0.0 114.435 -177.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -62.07 144.39 55.32 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.953 1.301 . . . . 0.0 114.014 -179.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.38 153.68 38.9 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.841 1.256 . . . . 0.0 111.751 169.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.8 t -146.39 168.77 20.31 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.688 1.195 . . . . 0.0 112.362 173.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.32 0.44 56.81 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.368 1.467 . . . . 0.0 114.451 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 45.3 mt -135.19 136.76 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.278 1.431 . . . . 0.0 110.225 -171.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -61.47 -43.08 99.5 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.62 1.168 . . . . 0.0 112.486 176.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.73 -34.54 74.56 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.859 0.864 . . . . 0.0 113.041 175.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 -71.05 -19.84 62.44 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 175.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.9 tp -82.19 -40.45 21.71 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.412 -0.805 . . . . 0.0 111.074 167.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -62.71 -42.81 99.84 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 120.924 -1.11 . . . . 0.0 112.084 178.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.2 p -62.79 -31.06 50.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 175.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -77.9 -40.56 39.42 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.813 0.845 . . . . 0.0 111.924 -175.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.1 mt -61.71 -21.48 64.52 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.207 1.003 . . . . 0.0 112.937 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.7 mtp-105 . . . . . 0 N--CA 1.479 1.014 0 C-N-CA 125.721 1.608 . . . . 0.0 113.335 175.788 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.515 0 N-CA-C 111.944 0.349 . . . . 0.0 111.944 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.5 t -64.17 142.71 58.32 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 122.239 1.018 . . . . 0.0 111.489 171.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -80.55 -4.95 55.92 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.68 0.792 . . . . 0.0 112.089 176.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -123.72 -26.62 4.11 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.581 1.152 . . . . 0.0 113.814 -170.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.9 p -139.1 -177.26 4.82 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.346 1.059 . . . . 0.0 113.344 171.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.5 p -75.04 3.6 8.15 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.608 1.563 . . . . 0.0 114.335 176.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -60.31 149.06 34.69 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.326 1.05 . . . . 0.0 113.007 178.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.7 p -141.6 151.43 43.13 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.172 1.389 . . . . 0.0 112.168 175.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.2 t -149.54 154.44 38.74 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.223 1.009 . . . . 0.0 112.515 -179.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 45.9 mt -87.94 -3.17 58.94 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.162 1.385 . . . . 0.0 113.318 175.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t -127.65 129.79 47.81 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.681 1.592 . . . . 0.0 111.507 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.1 tptt -69.49 -33.81 73.41 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.204 1.402 . . . . 0.0 111.933 177.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.17 -42.53 75.71 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 124.327 0.965 . . . . 0.0 112.696 174.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 54.8 m170 -69.33 -32.9 72.31 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.429 -1.042 . . . . 0.0 112.155 175.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 63.1 tp -66.42 -39.11 88.77 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.419 -0.801 . . . . 0.0 112.425 171.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.8 tttt -58.36 -47.36 84.03 Favored 'General case' 0 N--CA 1.464 0.267 0 O-C-N 121.367 -0.833 . . . . 0.0 110.213 171.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.6 t -60.79 -41.34 88.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-N 118.676 0.671 . . . . 0.0 111.903 176.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -55.63 -45.68 77.55 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.648 0.658 . . . . 0.0 112.108 174.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.5 mt -71.7 -40.27 70.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 O-C-N 120.698 -1.251 . . . . 0.0 111.488 178.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -68.0 -14.2 62.78 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.448 1.499 . . . . 0.0 113.814 179.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.5 ptt180 -111.97 -40.79 4.14 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 177.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.1 t -91.03 -47.34 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-N 118.3 0.5 . . . . 0.0 111.406 -174.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -102.42 17.71 22.89 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.124 1.37 . . . . 0.0 113.998 -174.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? . . . . . 0 CA--C 1.535 0.401 0 C-N-CA 125.512 1.525 . . . . 0.0 110.828 173.685 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 . . . . . 0 CA--C 1.538 0.496 0 N-CA-C 110.539 -0.171 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 -131.86 151.43 51.69 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 174.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 53.7 t -71.99 132.06 43.78 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.81 1.644 . . . . 0.0 112.506 176.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.7 -2.58 47.39 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 177.228 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -110.04 -35.3 6.16 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.484 1.113 . . . . 0.0 113.442 -179.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.2 p -130.56 2.04 4.53 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 115.454 1.649 . . . . 0.0 115.454 -178.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt 55.73 23.14 6.01 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 126.163 1.785 . . . . 0.0 115.023 178.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -69.83 141.64 53.23 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.581 1.552 . . . . 0.0 111.002 169.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.81 142.75 27.4 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.321 1.048 . . . . 0.0 111.765 177.336 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -134.13 124.05 25.44 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.193 1.797 . . . . 0.0 111.327 -179.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.9 m -83.84 -6.11 59.35 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 -177.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -133.52 122.06 23.06 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 126.446 1.898 . . . . 0.0 108.73 172.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.9 p -62.18 -36.38 74.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 O-C-N 121.88 -0.513 . . . . 0.0 111.669 -177.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -59.36 -33.81 71.62 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 121.333 -0.855 . . . . 0.0 112.39 176.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -77.95 -26.88 49.12 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 174.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.1 tp -63.27 -42.7 99.14 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 119.368 0.986 . . . . 0.0 110.703 168.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.4 mm -61.69 -47.88 91.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 O-C-N 121.816 -0.552 . . . . 0.0 110.322 175.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -57.93 -40.05 79.51 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.486 1.114 . . . . 0.0 112.31 177.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -62.96 -44.31 96.4 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.796 1.238 . . . . 0.0 112.619 172.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 64.0 mt -63.88 -43.36 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 CA-C-N 119.264 0.938 . . . . 0.0 110.839 175.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 77.0 mtp85 -64.17 -22.73 67.05 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.984 1.314 . . . . 0.0 114.44 176.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -91.15 -57.31 2.84 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.182 0.993 . . . . 0.0 113.159 174.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -90.58 -26.96 19.42 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 -164.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 . . . . . 0 CA--C 1.547 0.847 0 C-N-CA 125.77 1.628 . . . . 0.0 112.707 -171.145 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 N--CA 1.479 1.025 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -63.32 -28.39 72.04 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 124.162 3.242 . . . . 0.0 115.343 -173.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -83.17 95.92 8.26 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.19 0.596 . . . . 0.0 111.139 -176.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -91.11 148.76 22.15 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.942 1.697 . . . . 0.0 111.86 -179.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.2 t -75.77 134.48 72.11 Favored Pre-proline 0 CA--C 1.548 0.891 0 C-N-CA 124.313 1.045 . . . . 0.0 110.286 170.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -77.75 -6.82 16.33 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 123.816 3.011 . . . . 0.0 112.319 173.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -113.82 -29.09 7.19 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.837 1.255 . . . . 0.0 113.237 -170.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.6 p -144.56 -174.97 4.47 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 123.931 0.893 . . . . 0.0 113.294 176.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.9 m -73.26 0.28 12.37 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.237 1.415 . . . . 0.0 114.687 -177.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -62.07 147.04 48.62 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.102 1.361 . . . . 0.0 113.968 -178.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.21 153.31 37.43 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.826 1.25 . . . . 0.0 112.042 169.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.3 t -145.3 166.81 24.47 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.846 1.258 . . . . 0.0 112.478 172.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.24 -1.72 57.73 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.167 1.387 . . . . 0.0 114.477 176.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 56.8 mt -134.17 135.1 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 125.129 1.372 . . . . 0.0 110.303 -170.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -63.62 -39.46 94.41 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.028 0.931 . . . . 0.0 112.761 177.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.14 -36.02 76.58 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.638 0.775 . . . . 0.0 113.028 173.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -70.96 -26.71 63.29 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.497 -0.752 . . . . 0.0 112.332 175.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.3 tp -75.23 -44.43 46.17 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.135 0.88 . . . . 0.0 111.272 169.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -54.64 -46.11 73.88 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.103 0.865 . . . . 0.0 111.61 176.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.71 -34.98 67.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 123.339 0.655 . . . . 0.0 112.244 -176.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -66.2 -41.45 90.16 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.634 1.174 . . . . 0.0 112.748 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.0 mt -60.31 -22.98 63.82 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.975 0.91 . . . . 0.0 112.85 -178.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 . . . . . 0 N--CA 1.473 0.694 0 C-N-CA 124.933 1.293 . . . . 0.0 112.889 179.179 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.421 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.9 t -69.32 140.23 54.32 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 122.147 0.975 . . . . 0.0 111.685 172.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -83.75 -4.56 58.73 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.865 0.866 . . . . 0.0 111.876 173.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -120.25 -26.66 5.42 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.89 1.276 . . . . 0.0 113.447 -170.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.7 p -139.94 -175.51 4.25 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.227 1.011 . . . . 0.0 113.028 170.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.2 p -75.1 3.94 7.68 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.471 1.509 . . . . 0.0 114.34 176.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -59.58 144.88 46.35 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.426 1.09 . . . . 0.0 113.167 179.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.8 p -143.22 151.95 41.18 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 125.81 1.644 . . . . 0.0 111.588 171.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.1 t -147.99 156.61 42.84 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.974 0.91 . . . . 0.0 112.257 175.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 47.1 mt -78.92 -3.09 43.11 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 124.476 1.111 . . . . 0.0 112.858 172.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.0 t -123.23 125.65 45.49 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.772 1.629 . . . . 0.0 112.444 178.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.9 pttp -63.7 -34.39 77.76 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.404 1.482 . . . . 0.0 112.318 170.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -67.55 -40.54 90.83 Favored Glycine 0 CA--C 1.53 1.025 0 C-N-CA 123.836 0.731 . . . . 0.0 112.268 176.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -71.16 -34.6 71.12 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.444 -1.033 . . . . 0.0 112.371 174.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.9 tp -58.53 -43.58 89.25 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.296 0.953 . . . . 0.0 111.68 170.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -59.17 -50.86 72.41 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.852 -0.53 . . . . 0.0 110.616 175.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.0 t -60.5 -38.85 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-N 118.283 0.492 . . . . 0.0 111.99 178.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -58.12 -45.55 87.1 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.963 0.905 . . . . 0.0 112.194 175.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 80.2 mt -71.53 -39.26 70.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 O-C-N 120.745 -1.222 . . . . 0.0 110.999 177.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -68.37 -14.07 62.73 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.89 1.276 . . . . 0.0 113.782 179.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.1 ptt180 -110.75 -41.77 4.2 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.799 1.24 . . . . 0.0 114.011 177.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.4 t -91.38 -47.69 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-N 118.362 0.528 . . . . 0.0 111.386 -173.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -106.57 17.58 23.1 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.926 1.291 . . . . 0.0 114.082 -172.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? . . . . . 0 N--CA 1.467 0.42 0 C-N-CA 125.845 1.658 . . . . 0.0 111.115 -178.976 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 . . . . . 0 CA--C 1.542 0.666 0 N-CA-C 116.719 2.118 . . . . 0.0 116.719 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 -139.92 151.93 45.98 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.145 0.978 . . . . 0.0 111.971 168.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.9 t -66.77 129.68 40.67 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.381 1.873 . . . . 0.0 112.206 -178.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -20.49 61.74 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 174.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -87.47 -43.31 12.15 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -177.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.4 p -125.77 4.26 7.42 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 -174.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . 0.253 13.2 mptt 61.53 15.36 6.67 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 126.961 2.104 . . . . 0.0 114.943 174.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -73.84 125.08 27.36 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.937 1.695 . . . . 0.0 111.893 173.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 49.5 tttm -74.16 141.67 45.53 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 126.803 2.041 . . . . 0.0 110.536 173.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -121.3 -1.85 9.64 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 116.972 2.212 . . . . 0.0 116.972 -172.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 44.5 m 58.38 -7.61 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 127.269 2.228 . . . . 0.0 116.361 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -154.92 132.62 11.37 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 128.587 2.755 . . . . 0.0 107.351 168.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 11.4 p -52.82 -36.75 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 O-C-N 121.627 -0.671 . . . . 0.0 111.569 169.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -60.59 -32.96 72.05 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.353 0.979 . . . . 0.0 112.672 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 56.7 m-20 -73.37 -37.36 66.06 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 118.225 0.466 . . . . 0.0 111.85 173.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 63.7 tp -61.94 -38.58 88.98 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.6 0.76 . . . . 0.0 112.114 178.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 19.9 mm -58.88 -47.78 88.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 CA-C-N 118.48 0.582 . . . . 0.0 110.245 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 25.4 ttmm -62.96 -40.52 97.93 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.677 0.791 . . . . 0.0 112.108 177.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -58.4 -45.98 87.31 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 118.674 0.67 . . . . 0.0 112.51 171.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 58.3 mt -61.25 -46.56 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-N 118.812 0.733 . . . . 0.0 110.537 175.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 70.0 mtt-85 -64.69 -26.69 68.48 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 178.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -93.64 -38.26 11.43 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -105.5 -24.79 12.54 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.876 1.27 . . . . 0.0 114.363 -173.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 . . . . . 0 CA--C 1.551 1.007 0 C-N-CA 125.937 1.695 . . . . 0.0 112.433 -175.812 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.6 mttp . . . . . 0 N--CA 1.477 0.924 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.91 -30.89 92.85 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 125.029 3.819 . . . . 0.0 115.509 -173.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -84.03 100.98 11.43 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 124.229 1.011 . . . . 0.0 109.464 -178.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -116.6 144.75 44.0 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.211 1.404 . . . . 0.0 111.937 -167.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.9 t -75.96 132.22 74.61 Favored Pre-proline 0 CA--C 1.547 0.865 0 C-N-CA 123.689 0.796 . . . . 0.0 110.351 -177.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -76.79 -6.23 16.66 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 123.786 2.991 . . . . 0.0 112.175 172.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -115.57 -28.12 6.9 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.831 1.253 . . . . 0.0 113.25 -170.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.8 p -143.88 -172.68 3.8 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.701 0.801 . . . . 0.0 113.144 174.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.9 p -75.43 -0.54 20.38 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.373 1.469 . . . . 0.0 114.548 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -61.41 146.38 48.51 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.962 1.305 . . . . 0.0 114.081 -179.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.89 157.21 42.95 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.9 1.28 . . . . 0.0 112.334 172.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.5 t -146.34 158.19 43.86 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.8 1.64 . . . . 0.0 112.285 174.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.49 -2.39 53.23 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.689 1.196 . . . . 0.0 113.868 168.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 52.7 mt -127.67 132.83 68.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.897 1.279 . . . . 0.0 110.707 -173.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.0 tttm -58.14 -47.55 82.97 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.945 1.298 . . . . 0.0 112.922 178.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.21 -31.77 72.34 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 178.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -74.43 -16.89 60.86 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.542 0.737 . . . . 0.0 112.983 176.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 67.1 tp -83.14 -39.42 21.09 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.265 -0.897 . . . . 0.0 111.094 166.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -66.93 -38.2 85.74 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 120.991 -1.068 . . . . 0.0 112.231 -178.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.8 p -65.5 -30.53 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 123.718 0.807 . . . . 0.0 112.649 173.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -76.88 -37.97 54.51 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.94 0.896 . . . . 0.0 112.619 -172.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.9 mt -61.43 -20.71 63.41 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.574 0.75 . . . . 0.0 112.633 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 . . . . . 0 N--CA 1.478 0.927 0 C-N-CA 125.732 1.613 . . . . 0.0 113.683 176.07 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.449 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.0 t -67.66 141.9 56.56 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 122.155 0.978 . . . . 0.0 112.091 171.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -85.14 -6.41 59.29 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.95 0.9 . . . . 0.0 111.873 173.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -117.95 -27.02 6.27 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.05 1.34 . . . . 0.0 113.319 -172.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.0 p -140.26 -176.67 4.7 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.838 0.855 . . . . 0.0 113.136 171.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.7 m -74.69 5.03 5.3 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.158 1.383 . . . . 0.0 114.013 177.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -62.44 148.07 46.69 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.591 1.156 . . . . 0.0 113.198 -178.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.7 p -142.74 149.43 38.74 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 125.436 1.495 . . . . 0.0 111.912 172.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 5.0 t -141.54 168.8 18.9 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.418 1.087 . . . . 0.0 112.004 174.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -91.95 7.59 41.42 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.962 1.305 . . . . 0.0 114.305 179.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 34.9 t -146.07 137.82 24.98 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.935 1.294 . . . . 0.0 112.39 175.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -58.49 -32.82 69.15 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.615 1.566 . . . . 0.0 112.837 168.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.17 -42.78 74.69 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 123.511 0.576 . . . . 0.0 112.367 176.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 55.4 m170 -69.47 -34.57 74.57 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 121.616 -0.932 . . . . 0.0 112.161 173.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.0 tp -61.5 -43.32 99.07 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.342 0.657 . . . . 0.0 111.992 170.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.3 tttp -58.23 -50.28 74.11 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 118.423 -0.799 . . . . 0.0 109.951 173.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.8 t -58.15 -41.17 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 119.116 0.871 . . . . 0.0 112.129 178.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -57.2 -47.29 81.65 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.386 0.674 . . . . 0.0 112.477 174.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 93.6 mt -70.3 -39.56 76.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 O-C-N 120.907 -1.12 . . . . 0.0 111.129 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -67.88 -13.73 62.39 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.125 1.77 . . . . 0.0 113.768 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -114.09 -39.48 3.91 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.693 1.197 . . . . 0.0 114.039 178.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 38.3 t -91.32 -46.65 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 122.826 0.45 . . . . 0.0 111.26 -175.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -108.38 18.34 21.11 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 -171.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.47 0.573 0 C-N-CA 125.14 1.376 . . . . 0.0 110.557 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 CA--C 1.538 0.497 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 27.3 p-80 -140.23 151.77 45.43 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 168.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.1 t -73.64 130.19 39.52 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.889 1.675 . . . . 0.0 112.539 179.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.34 -5.87 53.46 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 178.118 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -101.62 -39.07 7.65 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.481 1.112 . . . . 0.0 113.255 177.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.6 p -130.28 3.8 4.74 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 115.651 1.722 . . . . 0.0 115.651 -173.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt 59.31 13.74 3.29 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 126.595 1.958 . . . . 0.0 115.131 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -65.58 135.9 55.67 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.968 1.307 . . . . 0.0 110.646 174.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -87.83 142.92 27.43 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.82 0.848 . . . . 0.0 112.69 178.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -134.69 126.63 29.45 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.876 1.67 . . . . 0.0 110.9 -175.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 48.6 m -83.71 -9.61 58.73 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -177.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -137.58 128.1 26.65 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 125.648 1.579 . . . . 0.0 109.637 173.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.7 p -63.4 -35.6 72.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 N-CA-C 112.397 0.518 . . . . 0.0 112.397 -175.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -57.32 -38.43 74.04 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 119.197 0.908 . . . . 0.0 112.499 178.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -76.52 -25.07 53.79 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.47 0.708 . . . . 0.0 112.399 176.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.4 tp -66.3 -43.22 86.9 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 119.166 0.893 . . . . 0.0 111.324 169.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 15.7 mm -60.12 -46.86 93.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-N 118.44 0.564 . . . . 0.0 110.257 176.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.0 tppt? -58.35 -46.45 86.25 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.296 1.439 . . . . 0.0 111.433 175.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 55.7 t60 -59.11 -43.63 91.91 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.358 0.663 . . . . 0.0 112.304 174.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 58.2 mt -59.41 -52.54 59.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-O 118.744 -0.645 . . . . 0.0 110.164 174.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -60.73 -33.38 72.83 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 179.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -86.76 -37.46 17.84 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -177.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -102.94 -30.8 10.58 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -172.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 . . . . . 0 N--CA 1.476 0.83 0 N-CA-C 115.925 1.824 . . . . 0.0 115.925 -169.769 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.513 0 N-CA-C 111.721 -0.552 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.3 p -87.87 -8.21 56.14 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -178.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.3 p -72.39 156.59 38.92 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.427 1.491 . . . . 0.0 113.611 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.06 170.65 53.04 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 124.576 1.084 . . . . 0.0 114.599 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.9 m -66.86 154.89 39.81 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.902 1.281 . . . . 0.0 113.458 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.7 m -64.82 154.05 38.26 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.897 1.279 . . . . 0.0 113.398 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.86 -27.39 0.24 Allowed Glycine 0 CA--C 1.536 1.358 0 C-N-CA 124.365 0.984 . . . . 0.0 114.775 176.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 49.46 60.73 15.04 Favored Pre-proline 0 N--CA 1.48 1.066 0 C-N-CA 126.714 2.006 . . . . 0.0 114.107 176.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -62.78 -32.73 77.8 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 124.351 3.367 . . . . 0.0 115.365 -177.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -82.24 103.05 11.55 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.579 0.752 . . . . 0.0 110.335 -175.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -115.68 146.62 41.69 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.692 1.597 . . . . 0.0 112.666 -169.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.5 t -77.07 136.03 66.29 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 124.137 0.975 . . . . 0.0 110.987 -178.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -77.05 -10.59 17.97 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 123.848 3.032 . . . . 0.0 112.375 174.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -112.63 -27.36 8.22 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 -173.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.7 p -143.49 -177.74 5.54 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.8 m -71.94 1.14 7.64 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.32 1.448 . . . . 0.0 114.414 -177.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -61.9 143.35 56.55 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.962 1.305 . . . . 0.0 113.871 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.83 152.14 35.99 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.092 1.357 . . . . 0.0 112.025 172.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.7 t -147.46 166.42 27.29 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.019 1.328 . . . . 0.0 112.333 173.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.2 0.51 56.69 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.069 1.347 . . . . 0.0 114.058 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 61.9 mt -132.1 134.48 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.365 1.466 . . . . 0.0 110.201 -172.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -62.74 -41.23 99.09 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.997 0.919 . . . . 0.0 112.924 178.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.32 -34.47 73.84 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.995 0.918 . . . . 0.0 113.07 175.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -68.9 -38.44 79.6 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.583 -0.698 . . . . 0.0 111.561 175.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.2 tp -65.32 -45.03 85.93 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.176 -0.952 . . . . 0.0 111.623 170.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -55.16 -47.52 75.04 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.204 0.911 . . . . 0.0 111.535 176.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.84 -35.1 71.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 123.186 0.594 . . . . 0.0 112.241 -176.102 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -66.14 -40.6 90.74 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.169 0.988 . . . . 0.0 112.743 177.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.5 mt -62.62 -24.77 67.76 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.019 0.928 . . . . 0.0 112.668 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -59.33 -17.71 31.86 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.023 1.329 . . . . 0.0 114.325 176.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -81.58 -28.46 33.81 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.075 1.35 . . . . 0.0 112.651 174.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 -88.67 -12.82 41.33 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.325 1.45 . . . . 0.0 114.304 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 29.3 p -72.22 163.12 28.49 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -71.61 -176.67 25.87 Favored Glycine 0 CA--C 1.539 1.554 0 C-N-CA 123.889 0.757 . . . . 0.0 114.335 173.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -72.45 134.12 45.19 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.636 -0.92 . . . . 0.0 113.225 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -86.61 114.25 23.17 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 124.062 0.945 . . . . 0.0 111.55 171.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -96.58 119.37 34.95 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 125.107 1.363 . . . . 0.0 108.676 169.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.61 148.38 22.12 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.412 1.085 . . . . 0.0 113.052 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.2 t -67.23 142.63 56.87 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 122.115 0.96 . . . . 0.0 111.792 170.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -81.53 -5.59 58.14 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.891 0.876 . . . . 0.0 112.068 175.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -122.66 -26.94 4.43 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.359 1.063 . . . . 0.0 113.808 -170.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.2 p -138.73 -178.34 5.27 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.045 0.938 . . . . 0.0 113.273 172.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.0 m -73.43 4.56 4.61 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.297 1.439 . . . . 0.0 114.068 176.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -61.1 146.41 47.5 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 123.966 0.906 . . . . 0.0 112.784 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.3 p -139.78 152.04 46.26 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 125.06 1.344 . . . . 0.0 112.193 171.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 9.1 t -143.21 151.01 40.12 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.314 1.045 . . . . 0.0 112.165 -177.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.5 mt -87.44 -3.9 59.01 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.684 1.194 . . . . 0.0 113.254 170.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.0 m -131.44 111.4 11.77 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.897 1.679 . . . . 0.0 110.884 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.6 pttt -60.81 -31.36 70.76 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.996 1.318 . . . . 0.0 113.971 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.16 -34.84 81.99 Favored Glycine 0 CA--C 1.538 1.513 0 O-C-N 121.871 -0.518 . . . . 0.0 113.406 174.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -72.77 -35.52 67.45 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.286 -1.126 . . . . 0.0 111.765 172.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.68 -39.42 91.36 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.381 0.672 . . . . 0.0 112.211 171.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -59.07 -49.17 78.92 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.356 -0.84 . . . . 0.0 111.135 171.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.3 t -60.8 -39.64 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 CA-C-N 118.661 0.664 . . . . 0.0 111.85 177.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -57.2 -46.46 82.87 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.845 0.858 . . . . 0.0 111.718 175.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 93.7 mt -70.7 -42.63 77.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 O-C-N 121.023 -1.048 . . . . 0.0 111.233 177.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -63.95 -21.12 66.34 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.08 1.352 . . . . 0.0 113.859 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.7 ptm85 -105.89 -41.59 5.37 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.7 t -90.54 -42.85 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 CA-C-N 118.219 0.463 . . . . 0.0 111.557 -173.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -113.69 15.08 18.88 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -169.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -84.95 133.07 34.28 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.891 1.677 . . . . 0.0 109.738 173.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm 50.87 46.73 25.78 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.319 1.448 . . . . 0.0 112.508 -169.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 19.8 tt -78.32 138.79 19.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 125.071 1.348 . . . . 0.0 111.834 -179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -67.54 139.43 56.95 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.561 0.744 . . . . 0.0 111.496 173.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -140.56 165.94 26.07 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.619 1.568 . . . . 0.0 110.805 -177.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 38.7 p-80 -133.07 148.23 52.19 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.582 0.753 . . . . 0.0 112.528 169.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 52.7 t -69.64 135.19 49.6 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.15 1.38 . . . . 0.0 112.457 178.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.83 -0.74 44.77 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 178.052 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -113.52 -35.68 5.17 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.473 1.109 . . . . 0.0 113.503 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.9 p -129.59 2.33 5.0 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 -176.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm 56.38 15.85 2.16 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 126.739 2.015 . . . . 0.0 115.549 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -63.3 137.89 58.34 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.931 1.292 . . . . 0.0 110.671 172.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -84.46 142.79 29.83 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.146 0.978 . . . . 0.0 112.058 177.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -131.45 144.23 51.01 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.19 1.796 . . . . 0.0 112.477 -176.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 44.1 p -81.27 -16.81 51.47 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.311 1.844 . . . . 0.0 114.671 -174.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -152.18 145.72 24.91 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 126.346 1.858 . . . . 0.0 108.362 176.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.9 p -57.87 -37.2 59.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 O-C-N 121.62 -0.675 . . . . 0.0 111.305 170.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -62.62 -32.5 73.53 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.8 1.182 . . . . 0.0 112.717 178.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -73.59 -35.51 65.43 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.305 0.642 . . . . 0.0 111.741 174.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.7 tp -62.45 -39.17 92.52 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.691 0.796 . . . . 0.0 112.457 174.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 16.2 mm -61.4 -46.31 96.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 O-C-N 121.641 -0.662 . . . . 0.0 110.747 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -59.24 -40.99 87.65 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.366 0.666 . . . . 0.0 111.847 177.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -60.97 -45.48 94.6 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.679 0.792 . . . . 0.0 113.05 171.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 66.5 mt -62.91 -43.45 98.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 O-C-N 121.33 -0.856 . . . . 0.0 110.792 176.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 76.6 mtp85 -63.04 -23.18 67.33 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 175.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -97.13 -44.27 7.03 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.541 1.137 . . . . 0.0 113.516 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -103.47 -25.57 13.19 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.9 1.28 . . . . 0.0 114.239 -171.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 57.0 m-70 -129.36 29.65 5.08 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.374 1.47 . . . . 0.0 112.719 -173.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.48 147.05 61.49 Favored Pre-proline 0 CA--C 1.553 1.069 0 N-CA-C 114.652 1.353 . . . . 0.0 114.652 -168.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -82.27 7.25 5.22 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 124.059 3.173 . . . . 0.0 115.316 -172.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 55.53 34.78 23.81 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 126.272 1.829 . . . . 0.0 113.67 -175.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.1 t70 . . . . . 0 C--O 1.253 1.284 0 C-N-CA 126.707 2.003 . . . . 0.0 112.82 -177.393 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.598 0 N-CA-C 111.988 -0.445 . . . . 0.0 111.988 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.7 m -67.15 148.95 51.16 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.47 1.108 . . . . 0.0 113.028 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.3 t -75.38 146.3 40.94 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.974 0.909 . . . . 0.0 112.397 177.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.75 179.67 37.47 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 125.416 1.484 . . . . 0.0 113.249 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.3 p -77.31 154.49 32.82 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.302 1.041 . . . . 0.0 112.343 173.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.1 m -71.99 -38.32 69.7 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 113.666 0.988 . . . . 0.0 113.666 -173.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.16 -135.03 52.04 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 124.422 1.01 . . . . 0.0 112.915 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.2 mttp 53.82 63.61 7.63 Favored Pre-proline 0 N--CA 1.478 0.975 0 C-N-CA 126.215 1.806 . . . . 0.0 113.473 169.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.37 -28.8 71.82 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 123.827 3.018 . . . . 0.0 115.373 -175.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -83.83 99.75 10.52 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.145 0.578 . . . . 0.0 111.245 -176.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -94.45 149.59 21.09 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.83 1.652 . . . . 0.0 112.265 -178.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.7 t -78.0 136.75 61.79 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 124.628 1.171 . . . . 0.0 110.664 171.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -78.61 -10.84 15.75 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 123.991 3.127 . . . . 0.0 112.277 173.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -108.03 -28.84 9.32 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.401 1.08 . . . . 0.0 113.497 -173.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.8 p -145.13 -176.0 4.92 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 178.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.3 m -72.36 0.14 10.87 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.312 1.445 . . . . 0.0 114.477 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -61.33 145.32 51.87 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.736 1.215 . . . . 0.0 113.794 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.18 152.57 36.28 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.801 1.24 . . . . 0.0 111.796 169.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.8 t -144.33 168.23 20.59 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.745 1.218 . . . . 0.0 112.584 173.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.95 -1.45 58.0 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.273 1.429 . . . . 0.0 114.375 177.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 56.7 mt -135.19 135.43 52.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 125.285 1.434 . . . . 0.0 110.047 -170.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -63.13 -39.54 94.99 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 123.987 0.915 . . . . 0.0 112.692 177.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.99 -36.1 76.44 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.786 0.834 . . . . 0.0 113.014 173.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -71.41 -25.22 62.24 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.568 -0.707 . . . . 0.0 112.46 175.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.5 tp -76.65 -44.7 32.88 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.35 -0.844 . . . . 0.0 111.064 168.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -54.25 -48.25 71.37 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 119.083 0.856 . . . . 0.0 111.461 176.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.08 -33.77 65.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 123.669 0.787 . . . . 0.0 112.295 -176.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.41 ' HA ' ' HE3' ' A' ' 31' ' ' LYS . 78.7 t60 -69.04 -38.65 79.24 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.681 1.193 . . . . 0.0 112.772 178.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.9 mt -65.88 -24.38 66.85 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.596 0.758 . . . . 0.0 112.587 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.5 mtp-105 -59.33 -35.67 74.26 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.938 0.895 . . . . 0.0 112.145 173.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.41 ' HE3' ' HA ' ' A' ' 28' ' ' HIS . 68.5 mttt -65.74 -37.25 85.86 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.834 1.254 . . . . 0.0 111.835 -179.165 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -68.19 -9.79 49.55 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 176.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.4 p -74.34 -26.05 59.91 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 119.815 1.189 . . . . 0.0 113.043 173.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -97.77 177.48 31.73 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 125.477 1.513 . . . . 0.0 114.183 -175.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -73.41 127.89 33.95 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.746 -0.855 . . . . 0.0 111.726 175.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -99.43 110.35 22.84 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.049 0.939 . . . . 0.0 110.652 176.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -91.82 106.82 18.76 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 126.708 2.003 . . . . 0.0 109.119 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.16 144.66 25.19 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.557 1.318 . . . . 0.0 114.557 -173.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.5 t -67.95 143.9 55.43 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 122.192 0.996 . . . . 0.0 112.133 171.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -85.61 -7.75 58.65 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.01 0.924 . . . . 0.0 111.925 173.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -117.57 -27.19 6.38 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.042 1.337 . . . . 0.0 113.381 -172.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.4 p -138.51 -176.6 4.52 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 172.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.1 p -75.93 4.44 8.2 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.487 1.515 . . . . 0.0 114.139 176.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -60.34 146.05 45.52 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.563 1.145 . . . . 0.0 113.015 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 52.0 p -142.13 153.05 43.8 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 125.355 1.462 . . . . 0.0 112.032 170.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 5.4 t -142.13 170.64 15.33 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.542 1.137 . . . . 0.0 112.121 178.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -93.39 5.79 50.37 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.064 1.746 . . . . 0.0 113.796 178.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.2 t -145.22 137.86 26.09 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.71 1.204 . . . . 0.0 112.469 173.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.1 pttt -59.24 -32.86 70.36 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.703 1.601 . . . . 0.0 112.516 169.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.17 -41.31 70.06 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 123.748 0.689 . . . . 0.0 112.354 176.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 62.2 m170 -69.96 -34.05 72.9 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.464 -1.021 . . . . 0.0 112.163 173.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.32 -43.53 98.72 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.589 0.756 . . . . 0.0 111.994 170.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -57.95 -49.62 76.17 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.519 -0.738 . . . . 0.0 110.776 172.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 76.4 t -59.14 -39.47 78.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 118.7 0.682 . . . . 0.0 111.932 177.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -57.62 -47.16 82.95 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.526 0.603 . . . . 0.0 111.911 175.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 82.4 mt -70.23 -39.53 76.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 O-C-N 120.913 -1.117 . . . . 0.0 111.091 178.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -69.3 -11.41 60.78 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.401 1.48 . . . . 0.0 114.25 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -114.34 -41.04 3.53 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 175.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 40.5 t -90.19 -47.71 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 122.957 0.503 . . . . 0.0 111.33 -173.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -103.34 22.6 13.88 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.431 1.492 . . . . 0.0 113.247 -177.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -71.12 140.97 50.79 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.994 1.718 . . . . 0.0 111.13 173.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt 52.46 46.65 26.29 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 126.649 1.98 . . . . 0.0 113.643 -175.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 14.5 tt -95.43 150.66 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 125.326 1.45 . . . . 0.0 112.365 -178.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.4 pttp -66.49 152.56 44.94 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.577 1.151 . . . . 0.0 112.837 173.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 -143.71 175.62 9.84 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.522 1.929 . . . . 0.0 110.637 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -138.14 152.52 48.78 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.198 -0.938 . . . . 0.0 113.069 168.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 53.1 t -73.7 132.42 42.67 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.976 1.711 . . . . 0.0 112.652 -179.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.76 -4.1 50.48 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 177.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -107.81 -34.71 6.87 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.271 1.029 . . . . 0.0 113.419 -178.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.8 p -131.12 3.92 4.38 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 -177.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt 59.41 11.55 2.29 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 126.617 1.967 . . . . 0.0 115.302 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -64.55 135.73 56.3 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.901 1.28 . . . . 0.0 111.047 175.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -82.65 141.08 32.77 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.284 1.034 . . . . 0.0 111.544 176.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -127.86 140.52 51.97 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.749 1.62 . . . . 0.0 111.946 -176.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 39.5 p -73.2 -22.64 60.41 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.478 1.511 . . . . 0.0 114.262 -174.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -149.31 148.09 29.12 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.037 1.735 . . . . 0.0 109.495 178.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.7 p -58.36 -38.89 72.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 CA-C-O 118.683 -0.675 . . . . 0.0 111.852 172.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -64.89 -33.07 75.13 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.881 1.219 . . . . 0.0 112.33 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -71.02 -36.15 72.29 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 122.973 0.509 . . . . 0.0 111.552 173.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.86 -39.8 95.54 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.606 0.763 . . . . 0.0 112.505 175.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 15.2 mm -60.49 -45.3 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 118.633 0.651 . . . . 0.0 110.594 178.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -63.45 -39.15 93.72 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.174 0.59 . . . . 0.0 112.031 178.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -60.24 -45.66 92.49 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 118.759 0.708 . . . . 0.0 112.681 170.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 59.9 mt -60.62 -44.67 97.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 O-C-N 121.57 -0.706 . . . . 0.0 110.416 175.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 43.0 mtt-85 -67.44 -18.81 65.23 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 115.502 1.668 . . . . 0.0 115.502 176.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -97.65 -38.92 9.33 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.138 0.975 . . . . 0.0 113.313 178.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.11 -26.66 11.02 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.925 1.29 . . . . 0.0 114.384 -173.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 42.2 m-70 -133.35 31.58 3.76 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.683 1.593 . . . . 0.0 112.507 -171.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.2 143.32 64.61 Favored Pre-proline 0 CA--C 1.553 1.079 0 N-CA-C 115.942 1.83 . . . . 0.0 115.942 -166.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -88.28 4.86 5.5 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 124.062 3.174 . . . . 0.0 114.744 -177.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 52.32 37.92 23.59 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 126.359 1.864 . . . . 0.0 113.33 -170.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 32.4 t70 . . . . . 0 C--O 1.252 1.206 0 C-N-CA 126.53 1.932 . . . . 0.0 112.662 -176.583 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.58 0 N-CA-C 111.831 -0.508 . . . . 0.0 111.831 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.1 p -75.91 158.93 31.45 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.754 1.221 . . . . 0.0 113.205 177.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.9 p -77.4 155.98 31.48 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.776 1.231 . . . . 0.0 113.061 177.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.85 152.38 50.27 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 124.159 0.885 . . . . 0.0 113.613 177.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.2 p -78.92 -16.02 57.54 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 -178.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.9 p -147.07 148.0 31.19 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.572 1.549 . . . . 0.0 112.171 177.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.56 -22.47 69.85 Favored Glycine 0 CA--C 1.536 1.39 0 N-CA-C 115.168 0.827 . . . . 0.0 115.168 -175.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt 45.91 60.91 13.43 Favored Pre-proline 0 N--CA 1.481 1.113 0 C-N-CA 126.579 1.952 . . . . 0.0 113.194 176.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -65.51 -27.57 54.0 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 124.211 3.274 . . . . 0.0 115.42 -173.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -82.73 94.66 7.65 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.025 0.53 . . . . 0.0 111.112 -176.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -90.73 148.47 22.56 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.28 1.832 . . . . 0.0 111.943 -178.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.2 t -77.82 134.28 64.99 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 124.357 1.063 . . . . 0.0 110.145 171.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -78.51 -7.11 15.77 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 123.965 3.11 . . . . 0.0 112.324 171.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -113.08 -26.32 8.52 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.859 1.263 . . . . 0.0 113.295 -170.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.4 p -146.34 -173.8 4.28 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.289 1.036 . . . . 0.0 113.327 172.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.8 m -74.11 0.84 12.6 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.249 1.42 . . . . 0.0 114.713 -177.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -61.89 146.75 48.87 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.287 1.435 . . . . 0.0 113.972 -178.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.17 151.91 35.15 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.866 1.266 . . . . 0.0 112.035 169.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.2 t -143.78 166.31 25.24 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.643 1.177 . . . . 0.0 112.443 173.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.2 -1.04 57.61 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.084 1.354 . . . . 0.0 114.281 177.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 54.9 mt -133.58 134.86 56.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 125.386 1.474 . . . . 0.0 109.939 -171.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -63.27 -39.72 95.39 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.717 0.807 . . . . 0.0 112.836 178.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.18 -35.76 76.08 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.874 0.869 . . . . 0.0 113.073 174.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -71.1 -25.15 62.47 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.506 -0.746 . . . . 0.0 112.452 175.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.1 tp -76.84 -45.38 28.66 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.069 0.85 . . . . 0.0 111.019 168.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -53.67 -47.18 70.65 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.205 0.912 . . . . 0.0 111.59 176.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.3 -34.07 66.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 123.553 0.741 . . . . 0.0 112.266 -177.119 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.41 ' HA ' ' HE3' ' A' ' 31' ' ' LYS . 76.6 t60 -69.05 -38.05 78.89 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.614 1.166 . . . . 0.0 112.778 178.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 62.0 mt -64.75 -23.45 67.25 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.606 0.763 . . . . 0.0 112.707 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -58.99 -36.32 74.7 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.103 0.961 . . . . 0.0 112.272 174.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.41 ' HE3' ' HA ' ' A' ' 28' ' ' HIS . 68.4 mttt -67.71 -27.94 67.24 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 125.08 1.352 . . . . 0.0 112.78 -177.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -76.39 -5.34 46.84 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 174.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.5 p -78.21 167.33 21.56 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 119.699 1.136 . . . . 0.0 112.232 170.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.31 -1.23 86.09 Favored Glycine 0 CA--C 1.538 1.489 0 O-C-N 121.313 -0.867 . . . . 0.0 114.789 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -81.93 149.04 28.42 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.266 1.427 . . . . 0.0 111.27 170.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.4 mmtt -77.49 108.72 10.86 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.692 0.797 . . . . 0.0 111.783 176.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -99.68 120.72 40.15 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 125.168 1.387 . . . . 0.0 109.374 169.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.72 147.38 23.04 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.607 1.163 . . . . 0.0 112.892 176.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.8 t -67.61 142.85 56.31 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 122.203 1.001 . . . . 0.0 111.59 171.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -82.12 -5.09 58.17 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.856 0.863 . . . . 0.0 112.113 175.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -122.08 -26.59 4.71 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.513 1.125 . . . . 0.0 113.621 -170.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 29.4 p -140.22 -178.28 5.4 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.33 1.052 . . . . 0.0 113.321 171.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.8 m -73.72 5.14 4.23 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.351 1.46 . . . . 0.0 114.083 177.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -61.22 146.56 47.33 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.008 0.923 . . . . 0.0 112.718 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 80.6 p -138.66 154.9 48.65 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 125.019 1.328 . . . . 0.0 112.11 170.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 17.3 t -147.57 152.56 38.16 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.064 0.946 . . . . 0.0 112.171 -175.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 64.6 mt -86.63 -2.07 58.2 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.006 1.322 . . . . 0.0 113.343 172.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.2 t -133.37 124.53 27.34 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 125.828 1.651 . . . . 0.0 111.608 177.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -60.73 -33.15 72.48 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 125.459 1.504 . . . . 0.0 113.167 172.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -75.31 -35.19 48.94 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 123.756 0.693 . . . . 0.0 112.934 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -71.89 -34.78 69.43 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.286 -1.126 . . . . 0.0 111.849 169.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.0 tp -62.29 -38.73 90.48 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.5 -0.75 . . . . 0.0 112.21 171.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -57.79 -50.28 73.79 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.486 -0.758 . . . . 0.0 110.877 170.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.6 t -59.18 -40.17 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 118.974 0.806 . . . . 0.0 111.897 177.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -56.74 -47.3 80.32 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.547 0.739 . . . . 0.0 111.803 175.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 87.7 mt -71.16 -40.55 74.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 O-C-N 120.766 -1.209 . . . . 0.0 111.29 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -67.41 -11.94 59.02 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.642 1.577 . . . . 0.0 114.069 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -116.22 -41.11 3.18 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 176.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 38.7 t -88.85 -45.62 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-N 118.374 0.534 . . . . 0.0 111.251 -173.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -105.55 17.45 23.83 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.323 1.449 . . . . 0.0 113.599 -175.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -63.71 125.25 23.7 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 126.002 1.721 . . . . 0.0 111.207 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt 52.76 41.49 31.59 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 126.872 2.069 . . . . 0.0 114.026 -179.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 17.1 tt -72.27 143.03 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 124.677 1.191 . . . . 0.0 110.787 174.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -89.39 108.83 19.86 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.198 0.599 . . . . 0.0 111.548 -172.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -82.54 166.25 19.44 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.201 1.401 . . . . 0.0 110.194 169.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 42.5 p-80 -134.95 148.39 50.01 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 170.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 44.6 t -70.63 134.92 48.0 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.474 1.509 . . . . 0.0 112.252 175.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.1 -3.19 51.16 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 178.163 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -108.33 -52.91 2.7 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.419 1.088 . . . . 0.0 112.244 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 23.5 p -111.93 0.2 15.99 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -173.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? 59.04 15.88 4.33 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 126.577 1.951 . . . . 0.0 114.439 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -64.35 138.28 58.35 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.164 1.386 . . . . 0.0 110.493 171.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -88.11 144.81 26.28 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.875 0.87 . . . . 0.0 112.504 176.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -134.14 127.62 32.43 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.868 1.667 . . . . 0.0 111.927 -174.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 49.7 m -79.96 -8.13 59.17 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -178.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -138.96 133.9 32.4 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.424 1.49 . . . . 0.0 109.515 171.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.75 -36.77 73.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 CA-C-O 118.827 -0.606 . . . . 0.0 111.513 174.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -64.47 -34.58 78.54 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.865 1.211 . . . . 0.0 112.079 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -72.23 -32.35 66.64 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 174.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.6 tp -61.92 -41.35 97.83 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 118.303 0.501 . . . . 0.0 111.804 171.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 13.9 mm -61.94 -47.56 92.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 CA-C-N 118.575 0.625 . . . . 0.0 110.459 177.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -59.4 -41.1 88.65 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.403 0.681 . . . . 0.0 111.815 178.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -60.21 -45.99 91.27 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.99 0.916 . . . . 0.0 112.962 171.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 61.8 mt -62.85 -42.83 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-N 119.22 0.918 . . . . 0.0 110.782 176.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 77.9 mtp85 -64.81 -23.22 67.17 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 175.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -97.27 -41.66 8.17 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.641 1.177 . . . . 0.0 113.671 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -104.79 -25.46 12.64 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.977 1.311 . . . . 0.0 114.189 -171.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -128.8 26.94 5.52 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.11 1.364 . . . . 0.0 113.225 -172.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -53.39 138.47 49.18 Favored Pre-proline 0 CA--C 1.553 1.077 0 C-N-CA 125.697 1.599 . . . . 0.0 114.646 -172.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -53.32 137.6 64.34 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 124.486 3.458 . . . . 0.0 114.336 175.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -99.37 -4.98 30.41 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.741 1.217 . . . . 0.0 113.707 -178.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 C--O 1.254 1.298 0 C-N-CA 126.654 1.982 . . . . 0.0 112.603 -179.677 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.532 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.5 m -136.88 153.3 50.79 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.198 1.399 . . . . 0.0 112.134 -175.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -76.0 -14.18 60.23 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -175.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.78 -168.36 53.29 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 124.605 1.098 . . . . 0.0 114.442 -178.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.7 p -90.55 5.58 47.19 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.81 1.644 . . . . 0.0 114.77 -176.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.8 m -63.04 155.3 28.09 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.66 1.584 . . . . 0.0 114.155 -176.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.08 167.82 44.0 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 124.97 1.272 . . . . 0.0 114.252 -178.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.0 mttt 46.78 60.69 14.53 Favored Pre-proline 0 N--CA 1.479 0.992 0 C-N-CA 126.188 1.795 . . . . 0.0 112.966 -175.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -60.99 -32.01 91.93 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 124.382 3.388 . . . . 0.0 115.19 -174.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -82.56 104.74 13.05 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.627 0.771 . . . . 0.0 110.633 -175.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -98.11 149.66 22.27 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.285 1.434 . . . . 0.0 112.124 -176.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.9 t -77.07 133.72 68.7 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 123.595 0.758 . . . . 0.0 109.991 169.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -77.42 -7.81 17.04 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 123.715 2.943 . . . . 0.0 112.318 173.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -116.06 -24.89 7.86 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -171.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.1 p -143.49 -172.65 3.76 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 172.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.5 p -75.87 -0.12 20.18 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.314 1.446 . . . . 0.0 114.68 -178.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -60.28 146.5 43.66 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.893 1.277 . . . . 0.0 114.039 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.99 154.6 39.59 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.857 1.263 . . . . 0.0 111.919 170.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.6 t -146.46 167.31 23.97 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.651 1.18 . . . . 0.0 112.602 173.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.25 -0.87 57.39 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.462 1.505 . . . . 0.0 114.536 176.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 56.0 mt -135.46 135.17 51.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 125.177 1.391 . . . . 0.0 110.206 -171.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -62.65 -40.24 96.41 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.807 0.843 . . . . 0.0 112.561 177.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.01 76.87 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.943 0.897 . . . . 0.0 112.874 175.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -70.53 -25.57 63.18 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.54 -0.725 . . . . 0.0 112.41 174.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.0 tp -76.96 -44.81 29.89 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 118.941 0.791 . . . . 0.0 111.084 169.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -53.86 -45.8 71.07 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.14 0.882 . . . . 0.0 111.499 176.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.2 -34.29 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 C-N-CA 123.572 0.749 . . . . 0.0 112.403 -176.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -67.79 -39.96 83.99 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.804 1.242 . . . . 0.0 112.766 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.0 mt -61.21 -21.52 63.91 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.975 0.91 . . . . 0.0 113.156 -178.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -59.72 -22.53 62.17 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.719 1.607 . . . . 0.0 114.118 -178.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.9 ptpt -82.58 -22.2 34.93 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 176.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -87.85 0.93 55.18 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.041 1.336 . . . . 0.0 114.503 -174.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.8 p -77.69 139.32 39.42 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 120.781 -1.199 . . . . 0.0 112.139 174.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 161.48 -164.05 34.86 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 123.517 0.58 . . . . 0.0 113.314 -171.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -69.99 132.94 46.7 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.947 -0.737 . . . . 0.0 111.867 175.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.3 mmtt -109.27 103.09 11.98 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.873 1.269 . . . . 0.0 111.246 -171.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -83.48 101.25 11.28 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 126.328 1.851 . . . . 0.0 109.02 178.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -93.57 144.18 25.61 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.825 1.25 . . . . 0.0 113.247 -174.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.8 t -69.23 140.75 54.54 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 122.11 0.957 . . . . 0.0 111.678 172.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -84.1 -4.02 58.49 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.82 0.848 . . . . 0.0 111.962 173.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -120.42 -27.22 5.24 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.974 1.309 . . . . 0.0 113.245 -170.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.3 p -139.88 -177.4 4.96 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.515 1.126 . . . . 0.0 112.904 171.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.9 m -74.16 5.41 4.44 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.198 1.399 . . . . 0.0 114.104 177.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -62.3 145.81 52.74 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.782 1.233 . . . . 0.0 113.213 -178.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 77.6 p -140.53 156.24 46.37 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 125.271 1.428 . . . . 0.0 112.102 169.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.4 t -144.64 167.24 23.02 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.695 1.198 . . . . 0.0 111.232 176.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -95.97 12.18 31.32 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.483 1.513 . . . . 0.0 112.377 172.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.8 t -138.85 128.5 24.73 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.491 1.516 . . . . 0.0 112.475 174.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.3 pttt -61.1 -33.63 73.67 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.466 1.506 . . . . 0.0 112.333 169.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.34 -44.26 75.26 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 123.843 0.735 . . . . 0.0 112.43 177.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -71.26 -32.78 69.14 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.47 -1.017 . . . . 0.0 112.385 175.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.3 tp -58.55 -43.09 89.21 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 119.012 0.824 . . . . 0.0 111.845 169.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.9 tttt -61.16 -47.16 87.49 Favored 'General case' 0 N--CA 1.463 0.225 0 O-C-N 121.579 -0.701 . . . . 0.0 110.406 176.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.4 t -61.4 -40.64 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 122.914 0.486 . . . . 0.0 111.772 177.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -57.34 -45.4 84.36 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.041 0.936 . . . . 0.0 112.26 175.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.4 mt -71.15 -41.83 75.66 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 O-C-N 121.045 -1.034 . . . . 0.0 111.001 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -64.52 -21.8 66.79 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.065 1.346 . . . . 0.0 113.64 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -102.95 -41.85 6.0 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.689 1.196 . . . . 0.0 113.864 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 25.2 t -92.33 -45.25 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-N 118.218 0.463 . . . . 0.0 111.646 -173.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -112.65 18.91 17.94 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 115.365 1.617 . . . . 0.0 115.365 -169.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -85.43 136.97 33.22 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.155 1.382 . . . . 0.0 111.364 -178.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.7 tttp 50.87 50.55 18.83 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 126.419 1.887 . . . . 0.0 112.881 -172.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 14.5 tt -99.09 144.08 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 125.595 1.558 . . . . 0.0 112.493 -175.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -85.63 153.04 22.65 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.798 1.239 . . . . 0.0 111.927 171.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -136.83 167.74 20.88 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.195 1.398 . . . . 0.0 112.002 -174.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 45.0 p-80 -139.46 149.3 43.86 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.558 0.743 . . . . 0.0 112.22 168.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 53.3 t -76.15 122.09 23.8 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.97 1.308 . . . . 0.0 109.733 169.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.78 -22.21 62.4 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 120.806 -1.184 . . . . 0.0 113.496 178.087 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -81.95 -36.09 28.35 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.453 1.101 . . . . 0.0 113.661 -173.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 29.2 p -126.58 0.24 6.84 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 179.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . 0.337 63.2 mttp 58.08 28.05 15.79 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.959 2.104 . . . . 0.0 114.372 174.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -76.39 137.19 39.61 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 127.082 2.153 . . . . 0.0 110.247 169.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -91.66 146.94 23.37 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.174 0.99 . . . . 0.0 112.209 176.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -134.48 131.93 38.66 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.968 1.707 . . . . 0.0 111.051 -173.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 57.7 p -83.16 -6.47 59.49 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.13 1.372 . . . . 0.0 113.706 176.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -139.95 131.92 27.77 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.27 1.828 . . . . 0.0 110.566 177.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.8 p -65.81 -37.67 80.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-O 118.84 -0.6 . . . . 0.0 111.841 173.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -66.84 -37.64 84.88 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 120.222 1.373 . . . . 0.0 111.887 -177.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -70.17 -28.32 65.24 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 171.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.0 tp -62.59 -42.36 99.51 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 119.524 1.056 . . . . 0.0 111.686 170.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 15.9 mm -62.06 -45.22 99.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 O-C-N 121.707 -0.621 . . . . 0.0 110.531 177.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -60.06 -43.42 95.43 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.365 0.666 . . . . 0.0 111.882 176.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 66.6 t60 -58.48 -44.46 89.35 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.94 0.896 . . . . 0.0 112.504 172.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 54.4 mt -62.94 -45.38 99.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 O-C-N 121.566 -0.709 . . . . 0.0 111.065 175.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -63.05 -28.5 70.13 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 177.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -90.68 -45.9 8.58 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.236 1.014 . . . . 0.0 113.435 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -99.26 -25.63 14.44 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.726 1.21 . . . . 0.0 114.13 -172.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -130.7 28.29 4.88 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.673 1.589 . . . . 0.0 112.771 -172.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -34.57 114.71 0.48 Allowed Pre-proline 0 CA--C 1.555 1.141 0 C-N-CA 127.563 2.345 . . . . 0.0 115.054 -169.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -85.06 60.26 5.61 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 123.712 2.941 . . . . 0.0 113.101 -169.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -89.17 -10.51 46.88 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.418 1.487 . . . . 0.0 113.951 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 25.3 t0 . . . . . 0 C--O 1.253 1.267 0 C-N-CA 127.614 2.366 . . . . 0.0 114.866 179.688 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.595 0 N-CA-C 112.133 -0.387 . . . . 0.0 112.133 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.4 t -149.5 150.41 32.27 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.069 1.348 . . . . 0.0 111.85 178.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.2 m -76.36 -12.68 60.1 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.69 1.196 . . . . 0.0 113.268 171.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.07 -169.57 50.86 Favored Glycine 0 CA--C 1.537 1.463 0 C-N-CA 124.733 1.158 . . . . 0.0 114.076 -176.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.4 t -74.24 148.22 41.72 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.031 0.933 . . . . 0.0 112.575 178.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.5 m -70.94 -17.26 62.69 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.116 0.967 . . . . 0.0 112.89 169.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.85 144.72 4.27 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 125.831 1.682 . . . . 0.0 113.073 176.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt 49.6 60.48 15.32 Favored Pre-proline 0 N--CA 1.48 1.028 0 C-N-CA 126.505 1.922 . . . . 0.0 113.66 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -61.61 -32.12 87.25 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 124.377 3.384 . . . . 0.0 115.402 -176.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -81.92 105.65 13.21 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.574 0.75 . . . . 0.0 111.03 -175.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -99.9 149.02 23.84 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.264 1.425 . . . . 0.0 112.357 -176.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.3 t -76.84 134.84 68.19 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 123.684 0.794 . . . . 0.0 110.169 169.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -77.58 -8.54 17.12 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 123.737 2.958 . . . . 0.0 112.341 173.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -115.13 -25.71 7.98 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -171.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.8 p -142.75 -174.57 4.2 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 174.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.8 p -75.02 0.78 14.79 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.403 1.481 . . . . 0.0 114.692 -178.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -60.13 145.31 47.28 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.946 1.298 . . . . 0.0 114.017 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -146.91 152.16 38.23 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.097 1.359 . . . . 0.0 111.823 171.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.4 t -146.62 168.07 22.18 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.558 1.143 . . . . 0.0 112.523 172.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.65 -0.99 57.88 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.334 1.453 . . . . 0.0 114.332 177.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 56.4 mt -135.24 135.49 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 125.236 1.414 . . . . 0.0 110.248 -170.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -63.23 -40.02 96.28 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.952 0.901 . . . . 0.0 112.743 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.97 -36.01 76.2 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.724 0.81 . . . . 0.0 113.032 174.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -71.03 -26.4 63.09 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.447 -0.783 . . . . 0.0 112.386 175.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.5 tp -75.82 -44.86 39.0 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 119.006 0.821 . . . . 0.0 111.087 169.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -54.36 -46.57 73.01 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 118.966 0.803 . . . . 0.0 111.606 176.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.25 -34.12 64.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 123.395 0.678 . . . . 0.0 112.381 -176.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -67.57 -40.08 84.9 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.575 1.15 . . . . 0.0 112.836 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 61.8 mt -61.51 -21.86 64.6 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.06 0.944 . . . . 0.0 113.358 -178.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.0 mtp85 -58.17 -22.93 53.47 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.809 1.644 . . . . 0.0 114.279 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -83.03 -23.1 33.38 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 178.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 -87.18 -7.46 57.92 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -172.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.8 p -70.54 146.35 50.23 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 121.093 -1.004 . . . . 0.0 113.236 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 163.29 -173.51 39.45 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 124.424 1.011 . . . . 0.0 112.985 -176.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -74.71 127.32 32.86 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.973 -0.722 . . . . 0.0 112.018 176.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -118.07 111.27 18.68 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.87 1.268 . . . . 0.0 111.16 177.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -91.83 106.36 18.41 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 126.318 1.847 . . . . 0.0 109.384 178.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.02 144.82 25.13 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.704 1.201 . . . . 0.0 113.089 -175.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.1 t -68.77 141.49 55.19 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 122.217 1.008 . . . . 0.0 111.81 171.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -82.78 -7.24 59.67 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.919 0.887 . . . . 0.0 111.892 174.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -120.04 -25.96 5.66 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.704 1.202 . . . . 0.0 113.804 -171.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 29.5 p -139.19 -177.91 5.12 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 169.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.1 m -72.66 3.36 5.12 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.299 1.439 . . . . 0.0 114.045 176.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -60.2 145.45 47.11 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.196 0.998 . . . . 0.0 113.127 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.7 p -142.84 149.65 38.85 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 125.486 1.515 . . . . 0.0 112.004 173.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 18.6 t -140.23 152.16 45.73 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.663 1.185 . . . . 0.0 112.208 -178.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -83.57 -7.8 59.45 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.503 1.121 . . . . 0.0 112.713 172.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.8 m -129.07 124.79 35.73 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.881 1.672 . . . . 0.0 112.016 -176.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -66.11 -37.15 85.03 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.181 1.392 . . . . 0.0 113.337 -173.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.19 -34.95 91.0 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 123.569 0.604 . . . . 0.0 113.344 177.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -74.23 -31.81 62.74 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.407 -1.055 . . . . 0.0 112.237 175.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 54.6 tp -60.52 -43.04 97.53 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 119.389 0.995 . . . . 0.0 111.239 169.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -58.16 -53.16 61.43 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.885 -0.509 . . . . 0.0 110.28 175.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 69.8 t -61.24 -36.95 76.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -55.77 -43.47 76.77 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.327 0.651 . . . . 0.0 111.883 173.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 78.7 mt -72.03 -37.29 59.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 O-C-N 120.873 -1.142 . . . . 0.0 111.062 175.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -69.9 -10.98 60.47 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.441 1.274 . . . . 0.0 114.441 177.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.7 ptt180 -114.68 -39.97 3.66 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 179.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.3 t -92.24 -45.36 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 C-N-CA 122.641 0.376 . . . . 0.0 111.306 -175.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 65.5 m-70 -110.48 22.92 14.89 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.041 1.336 . . . . 0.0 114.23 -172.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.75 137.12 53.79 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.409 1.084 . . . . 0.0 110.83 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 83.4 tttt 56.22 75.93 0.32 Allowed 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 126.669 1.988 . . . . 0.0 112.431 -170.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 11.9 tt -141.04 157.0 22.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.837 1.655 . . . . 0.0 111.469 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -87.43 165.24 15.7 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.334 1.454 . . . . 0.0 112.537 171.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.0 mp0 -129.25 169.79 14.39 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.988 1.715 . . . . 0.0 112.338 -175.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -132.26 147.3 52.4 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.206 1.003 . . . . 0.0 111.873 167.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 52.8 t -72.43 130.36 40.52 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.501 1.521 . . . . 0.0 111.443 175.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.97 -17.17 61.04 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 179.154 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -91.47 -40.57 11.33 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.318 1.047 . . . . 0.0 112.818 -176.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.6 p -128.98 0.77 5.29 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 115.377 1.621 . . . . 0.0 115.377 -174.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 60.42 17.37 7.15 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 126.722 2.009 . . . . 0.0 114.309 175.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -67.42 134.67 51.85 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.426 1.49 . . . . 0.0 110.301 170.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -87.2 142.85 27.6 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.55 0.74 . . . . 0.0 112.301 177.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -128.1 132.07 49.0 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.631 1.172 . . . . 0.0 111.313 -177.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.8 m -79.83 -20.03 47.03 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.588 1.155 . . . . 0.0 113.727 -176.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -138.31 130.7 28.96 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.761 1.624 . . . . 0.0 109.922 176.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.19 -35.25 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -174.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -58.77 -36.02 73.71 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 121.182 -0.949 . . . . 0.0 112.462 178.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -78.37 -25.25 46.22 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 175.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.1 tp -64.39 -43.68 93.71 Favored 'General case' 0 CA--C 1.537 0.442 0 CA-C-N 119.16 0.891 . . . . 0.0 110.896 169.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 17.1 mm -61.3 -45.18 99.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 O-C-N 121.731 -0.606 . . . . 0.0 110.511 176.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -61.16 -43.08 99.44 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.056 0.942 . . . . 0.0 111.939 177.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 59.6 t60 -59.92 -44.36 94.35 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.267 1.027 . . . . 0.0 112.55 171.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 58.1 mt -60.81 -46.92 95.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 O-C-N 121.64 -0.662 . . . . 0.0 110.712 176.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -62.07 -38.14 87.66 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 175.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -81.74 -40.11 23.2 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 -177.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -101.69 -29.94 11.62 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -171.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -123.56 -5.32 8.17 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 -171.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 18.38 72.15 0.21 Allowed Pre-proline 0 CA--C 1.553 1.096 0 C-N-CA 130.446 3.498 . . . . 0.0 116.26 178.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -64.74 145.84 87.31 Favored 'Trans proline' 0 CA--C 1.538 0.686 0 C-N-CA 123.697 2.931 . . . . 0.0 112.679 -177.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -106.1 0.35 25.4 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.91 1.284 . . . . 0.0 113.829 -172.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.2 t70 . . . . . 0 C--O 1.253 1.276 0 C-N-CA 126.566 1.947 . . . . 0.0 112.58 -179.722 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.648 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.4 m -72.31 143.02 48.84 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.249 1.02 . . . . 0.0 112.912 -176.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m -56.21 -31.92 63.92 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.478 1.511 . . . . 0.0 114.633 -174.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.83 -7.46 87.39 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 124.448 1.023 . . . . 0.0 115.126 177.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.4 m -127.83 -34.06 2.2 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -171.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -156.76 164.2 38.38 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.239 0.927 . . . . 0.0 113.377 -175.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.19 179.23 51.82 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 125.368 1.461 . . . . 0.0 116.161 170.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt 49.69 57.21 18.07 Favored Pre-proline 0 N--CA 1.481 1.079 0 C-N-CA 127.424 2.29 . . . . 0.0 114.36 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -64.61 -29.42 60.78 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 124.553 3.502 . . . . 0.0 115.806 -177.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -87.55 106.22 17.85 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.185 0.594 . . . . 0.0 111.192 -176.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -100.91 150.19 23.11 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 125.274 1.43 . . . . 0.0 112.035 -178.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.2 t -76.2 137.13 68.58 Favored Pre-proline 0 CA--C 1.548 0.875 0 C-N-CA 124.3 1.04 . . . . 0.0 110.521 170.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -77.71 -11.48 16.88 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 123.905 3.07 . . . . 0.0 112.456 174.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -111.7 -26.96 8.73 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -173.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.0 p -141.76 -176.81 4.91 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 177.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.5 p -73.73 0.46 12.92 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.32 1.448 . . . . 0.0 114.623 -177.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -60.07 143.46 52.0 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.908 1.283 . . . . 0.0 113.778 178.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.12 152.93 35.53 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.699 1.2 . . . . 0.0 112.243 169.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 t -147.11 170.68 16.68 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.829 1.251 . . . . 0.0 112.614 177.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -92.55 -0.94 57.27 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.502 1.521 . . . . 0.0 114.242 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 65.6 mt -135.9 134.19 50.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.354 1.462 . . . . 0.0 109.9 -170.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -63.04 -38.87 92.9 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 121.537 -0.727 . . . . 0.0 112.577 178.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.04 -34.31 74.67 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.958 0.903 . . . . 0.0 113.212 175.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -68.4 -37.97 80.86 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.44 -0.787 . . . . 0.0 111.314 173.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 54.9 tp -65.7 -45.23 83.59 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.24 -0.913 . . . . 0.0 111.521 171.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -54.5 -46.42 73.45 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.276 0.944 . . . . 0.0 111.668 176.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.29 -35.96 70.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 123.183 0.593 . . . . 0.0 112.255 -176.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -65.53 -41.93 92.56 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.05 0.94 . . . . 0.0 112.635 178.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 61.6 mt -60.65 -21.26 62.59 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.28 1.032 . . . . 0.0 113.276 -178.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -57.16 -30.26 64.31 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.687 1.195 . . . . 0.0 113.413 179.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -75.33 -21.34 58.47 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 177.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -89.25 11.81 17.8 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 126.15 1.78 . . . . 0.0 113.879 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 53.8 p -80.96 169.02 18.06 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.938 1.295 . . . . 0.0 113.55 -176.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.29 73.86 1.22 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.095 -1.202 . . . . 0.0 110.095 -169.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -139.55 159.37 42.32 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 126.564 1.945 . . . . 0.0 111.468 -168.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -73.15 109.59 6.8 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 122.195 0.998 . . . . 0.0 111.354 173.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -91.47 120.86 32.67 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 125.301 1.441 . . . . 0.0 108.739 169.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.57 148.33 25.54 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.022 0.929 . . . . 0.0 113.282 177.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.3 t -64.31 142.12 58.53 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 122.81 1.29 . . . . 0.0 111.457 169.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -77.22 -8.28 57.3 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 114.733 -1.121 . . . . 0.0 112.153 175.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -125.36 -25.64 3.73 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 -169.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 26.7 p -137.82 -177.96 5.04 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 169.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.0 m -74.39 4.44 5.91 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.439 1.496 . . . . 0.0 114.057 177.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -60.57 149.07 35.87 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.315 1.046 . . . . 0.0 112.831 178.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 47.9 p -141.5 153.59 45.01 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.967 1.307 . . . . 0.0 112.682 173.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 7.7 t -148.25 153.17 38.36 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.195 0.998 . . . . 0.0 112.329 175.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 97.3 mt -82.59 -2.51 53.98 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.736 1.214 . . . . 0.0 113.623 171.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.2 t -126.65 121.78 33.11 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.678 1.591 . . . . 0.0 110.664 177.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -65.98 -30.82 71.44 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.655 1.182 . . . . 0.0 112.707 176.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.31 -38.22 71.03 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 123.644 0.64 . . . . 0.0 112.889 174.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 60.3 m80 -68.75 -39.79 80.13 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.448 -1.03 . . . . 0.0 112.594 172.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 62.8 tp -59.14 -39.52 82.66 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.174 0.99 . . . . 0.0 112.169 170.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -57.58 -53.75 54.58 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 118.449 -0.786 . . . . 0.0 110.32 169.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 85.3 t -55.13 -40.63 55.99 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-N 119.351 0.978 . . . . 0.0 112.371 177.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -56.63 -45.92 81.26 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 118.789 0.722 . . . . 0.0 112.063 175.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 91.9 mt -72.26 -38.72 62.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 O-C-N 120.696 -1.253 . . . . 0.0 111.463 178.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -69.68 -11.75 61.09 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.506 1.522 . . . . 0.0 113.451 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -114.83 -42.39 3.24 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.727 1.211 . . . . 0.0 114.23 176.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.3 t -88.99 -47.31 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 118.251 0.478 . . . . 0.0 111.109 -174.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -105.59 23.45 13.81 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.454 1.502 . . . . 0.0 113.587 -175.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -66.61 148.57 51.72 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.408 1.483 . . . . 0.0 111.183 175.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt 58.8 70.05 0.68 Allowed 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 127.406 2.282 . . . . 0.0 112.566 -169.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 7.7 tt -141.45 172.82 9.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 126.646 1.978 . . . . 0.0 111.802 -173.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -81.18 149.74 28.96 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.45 1.5 . . . . 0.0 113.482 172.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.6 mp0 -142.19 174.46 10.59 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 127.06 2.144 . . . . 0.0 111.224 175.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -134.91 150.78 50.46 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.769 0.828 . . . . 0.0 112.601 167.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 50.8 t -77.28 131.98 38.42 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.92 1.688 . . . . 0.0 111.956 176.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.51 -15.19 60.42 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -93.0 -37.54 12.14 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.221 1.009 . . . . 0.0 112.913 -177.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 23.8 p -131.46 0.18 4.03 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 115.512 1.671 . . . . 0.0 115.512 -173.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt 56.65 19.05 4.01 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 126.317 1.847 . . . . 0.0 115.022 -178.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -65.95 136.52 56.2 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.466 1.106 . . . . 0.0 110.144 169.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 62.8 mtpt -87.77 141.31 28.7 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.696 0.798 . . . . 0.0 111.98 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -125.14 157.9 35.25 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 125.992 1.717 . . . . 0.0 111.312 -177.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.5 t -118.49 5.15 11.72 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.974 1.309 . . . . 0.0 113.887 -175.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -153.52 135.37 14.58 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 125.905 1.682 . . . . 0.0 108.445 168.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.9 p -59.66 -37.38 70.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-O 118.812 -0.613 . . . . 0.0 111.181 177.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -63.64 -36.92 85.43 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.517 1.053 . . . . 0.0 111.876 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -74.09 -27.2 60.78 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 174.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.8 tp -64.47 -42.1 96.11 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.965 0.802 . . . . 0.0 111.336 169.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 15.0 mm -61.7 -46.58 96.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 O-C-N 121.728 -0.608 . . . . 0.0 110.377 174.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -57.7 -41.9 82.65 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.333 1.053 . . . . 0.0 111.991 178.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 60.0 t60 -61.37 -44.92 96.34 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.502 1.121 . . . . 0.0 112.979 171.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 57.9 mt -63.21 -42.0 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 O-C-N 121.321 -0.862 . . . . 0.0 110.83 176.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 77.4 mtp85 -65.06 -21.69 66.86 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 114.638 1.348 . . . . 0.0 114.638 174.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -97.4 -42.36 7.78 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.598 1.159 . . . . 0.0 113.66 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.29 -25.44 11.48 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.929 1.292 . . . . 0.0 114.319 -170.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -126.48 27.25 6.19 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.413 1.485 . . . . 0.0 112.564 -174.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -57.55 139.34 81.21 Favored Pre-proline 0 CA--C 1.55 0.959 0 C-N-CA 126.224 1.809 . . . . 0.0 115.312 -169.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -81.24 147.91 16.46 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 124.04 3.16 . . . . 0.0 112.134 175.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -132.17 17.11 4.55 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.292 1.437 . . . . 0.0 113.156 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 C--O 1.254 1.337 0 C-N-CA 126.524 1.929 . . . . 0.0 112.571 178.884 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.538 0 N-CA-C 111.776 -0.53 . . . . 0.0 111.776 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.0 p -81.66 -12.0 58.85 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -178.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -145.63 174.31 11.29 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 126.202 1.801 . . . . 0.0 111.188 177.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.71 -34.46 1.63 Allowed Glycine 0 CA--C 1.538 1.494 0 C-N-CA 125.855 1.693 . . . . 0.0 114.985 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.2 m -77.1 -22.64 52.44 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.489 1.116 . . . . 0.0 113.065 172.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.8 m -81.38 165.17 21.56 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.681 1.592 . . . . 0.0 112.872 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.35 152.5 33.65 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 123.788 0.709 . . . . 0.0 113.072 171.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.6 mttt 48.48 61.43 13.95 Favored Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 125.35 1.46 . . . . 0.0 112.386 -169.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.12 -28.93 88.01 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 124.797 3.665 . . . . 0.0 115.28 -175.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -87.2 101.71 13.77 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.438 0.695 . . . . 0.0 110.992 -177.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -97.55 150.13 21.45 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.516 1.527 . . . . 0.0 111.623 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.1 t -75.97 136.44 69.83 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 124.104 0.962 . . . . 0.0 110.499 170.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -77.6 -10.52 17.19 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 123.874 3.049 . . . . 0.0 112.293 174.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -112.28 -27.38 8.34 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 -173.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.2 p -143.73 -177.49 5.44 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.523 0.935 . . . . 0.0 113.523 178.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.8 m -71.56 -0.3 10.31 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.219 1.408 . . . . 0.0 114.566 -177.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -62.28 145.89 52.48 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.014 1.326 . . . . 0.0 113.921 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -151.13 156.41 40.94 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.635 1.174 . . . . 0.0 111.926 169.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.0 t -146.8 167.07 24.79 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.749 1.22 . . . . 0.0 112.575 173.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.39 -2.15 57.79 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.268 1.427 . . . . 0.0 114.558 175.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 56.1 mt -133.81 135.0 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 125.148 1.379 . . . . 0.0 110.363 -171.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -62.85 -39.8 95.5 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.01 0.924 . . . . 0.0 112.64 177.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.11 -35.64 75.68 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.775 0.83 . . . . 0.0 113.101 173.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -71.57 -25.84 62.37 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.395 -0.816 . . . . 0.0 112.438 175.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.2 tp -76.38 -44.7 35.11 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.404 -0.81 . . . . 0.0 111.035 168.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -53.53 -48.12 69.35 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.237 0.926 . . . . 0.0 111.328 176.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.35 -33.9 66.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 123.467 0.707 . . . . 0.0 112.39 -176.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -68.79 -40.8 79.42 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.409 1.083 . . . . 0.0 112.51 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 71.1 mt -63.1 -26.75 68.97 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.689 0.796 . . . . 0.0 112.311 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -54.38 -23.35 15.26 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 125.02 1.328 . . . . 0.0 113.977 175.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 59.4 mttt -83.35 -26.51 30.45 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.911 1.285 . . . . 0.0 113.081 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -81.73 -9.49 59.62 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.539 1.136 . . . . 0.0 113.427 171.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 37.2 p -104.81 -146.69 0.38 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 126.045 1.738 . . . . 0.0 110.95 176.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.01 22.66 9.12 Favored Glycine 0 CA--C 1.534 1.255 0 O-C-N 121.166 -0.959 . . . . 0.0 115.224 174.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -115.15 141.91 47.37 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.699 1.6 . . . . 0.0 110.534 172.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -81.0 108.76 14.96 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.691 0.758 . . . . 0.0 111.86 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -101.69 122.47 43.96 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.413 1.485 . . . . 0.0 109.558 169.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.4 146.85 23.84 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.672 1.189 . . . . 0.0 112.738 174.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.7 t -66.42 142.44 57.58 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 122.216 1.008 . . . . 0.0 111.569 171.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -81.94 -5.0 57.93 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.777 0.831 . . . . 0.0 112.03 175.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -121.96 -26.56 4.76 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.653 1.181 . . . . 0.0 113.668 -170.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.4 p -140.67 -178.55 5.58 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.33 1.052 . . . . 0.0 113.246 171.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.7 m -72.64 4.04 4.38 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.305 1.442 . . . . 0.0 114.151 177.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -61.63 148.49 42.31 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.358 1.063 . . . . 0.0 113.152 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.0 p -142.59 149.84 39.54 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 125.239 1.416 . . . . 0.0 111.848 174.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.7 t -147.38 152.67 38.55 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.638 0.775 . . . . 0.0 112.26 176.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -78.43 -2.44 38.41 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.524 1.529 . . . . 0.0 112.878 175.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.9 t -132.11 126.38 33.58 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.903 1.681 . . . . 0.0 111.902 177.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.7 pttt -64.92 -30.96 71.98 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.933 1.293 . . . . 0.0 112.733 171.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.69 -37.12 76.47 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 123.655 0.645 . . . . 0.0 112.692 177.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -73.56 -35.57 65.5 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.386 1.093 . . . . 0.0 112.023 170.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.8 tp -61.24 -38.11 85.48 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.509 -0.744 . . . . 0.0 112.336 174.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -57.28 -49.15 76.99 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.721 -0.612 . . . . 0.0 110.956 171.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.46 -39.2 83.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 123.111 0.565 . . . . 0.0 111.683 177.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 65.1 t60 -58.11 -44.21 87.57 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.513 0.725 . . . . 0.0 111.979 174.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 80.9 mt -70.92 -40.71 76.75 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 O-C-N 120.727 -1.233 . . . . 0.0 111.018 177.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -68.81 -16.0 63.66 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.966 1.306 . . . . 0.0 113.947 179.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -106.1 -40.77 5.55 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 176.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.0 t -92.97 -46.37 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 118.175 0.443 . . . . 0.0 111.555 -174.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -107.96 14.03 25.65 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 115.151 1.537 . . . . 0.0 115.151 -170.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.78 122.62 18.08 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.599 1.56 . . . . 0.0 110.355 178.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 68.5 mttm 48.59 53.46 12.13 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 126.069 1.747 . . . . 0.0 113.4 -171.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 15.9 tt -60.09 147.1 9.65 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 C-N-CA 124.445 1.098 . . . . 0.0 111.46 169.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -68.02 154.87 40.72 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.004 0.922 . . . . 0.0 112.241 176.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -130.48 172.73 11.57 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 126.337 1.855 . . . . 0.0 110.986 -177.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -138.48 154.05 48.81 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 170.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.8 t -73.66 140.83 46.38 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.604 1.962 . . . . 0.0 113.006 177.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.23 -3.31 58.6 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.623 1.169 . . . . 0.0 113.791 176.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -108.81 -34.42 6.67 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.317 1.047 . . . . 0.0 113.286 -178.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 22.0 p -131.59 4.32 4.26 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 -177.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? 58.66 12.03 2.02 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 126.692 1.997 . . . . 0.0 115.385 179.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -64.71 139.06 58.72 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.049 1.34 . . . . 0.0 111.355 175.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -86.29 145.03 27.1 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.341 1.057 . . . . 0.0 112.111 176.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -132.01 141.61 49.31 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.042 1.737 . . . . 0.0 112.902 -172.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.5 p -76.78 -23.52 52.9 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.002 1.721 . . . . 0.0 114.484 -173.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -148.43 145.64 28.09 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 126.511 1.924 . . . . 0.0 108.418 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.5 p -58.19 -37.86 64.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 CA-C-O 118.698 -0.668 . . . . 0.0 111.373 173.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -63.82 -34.71 78.54 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 119.837 1.198 . . . . 0.0 112.39 177.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -70.88 -33.95 71.11 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 122.778 0.431 . . . . 0.0 111.917 174.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.93 -40.7 98.44 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.031 0.532 . . . . 0.0 111.946 172.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 13.9 mm -61.57 -46.51 96.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 CA-C-N 118.446 0.567 . . . . 0.0 110.282 176.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -59.9 -40.44 88.81 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.637 0.775 . . . . 0.0 112.02 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 58.9 t60 -60.72 -44.65 96.35 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.002 0.921 . . . . 0.0 112.976 170.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 56.7 mt -63.56 -42.79 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 O-C-N 121.258 -0.901 . . . . 0.0 110.858 176.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 71.3 mtp85 -66.0 -19.76 65.96 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 174.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -97.71 -41.86 7.89 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.398 1.079 . . . . 0.0 113.626 178.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.24 -26.02 11.24 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.974 1.31 . . . . 0.0 114.52 -171.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -127.85 27.74 5.68 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.33 1.452 . . . . 0.0 112.51 -173.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -62.15 148.62 88.6 Favored Pre-proline 0 CA--C 1.552 1.041 0 N-CA-C 115.703 1.742 . . . . 0.0 115.703 -168.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -91.22 16.23 1.6 Allowed 'Trans proline' 0 CA--C 1.546 1.079 0 C-N-CA 124.88 3.72 . . . . 0.0 114.202 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 60.8 39.85 16.66 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 126.565 1.946 . . . . 0.0 113.368 -169.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.3 t70 . . . . . 0 C--O 1.252 1.192 0 C-N-CA 126.131 1.773 . . . . 0.0 112.852 172.53 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.558 0 N-CA-C 111.778 -0.529 . . . . 0.0 111.778 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.6 p -76.98 159.04 30.25 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.66 1.184 . . . . 0.0 113.199 177.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.0 p -143.12 153.01 42.46 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.445 1.498 . . . . 0.0 111.816 178.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.25 -44.86 1.68 Allowed Glycine 0 CA--C 1.538 1.504 0 C-N-CA 125.434 1.492 . . . . 0.0 114.578 -177.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.5 p -85.87 -17.89 34.31 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.639 1.576 . . . . 0.0 114.15 176.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.1 t -74.7 148.26 40.71 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.494 1.118 . . . . 0.0 112.332 178.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.83 171.48 42.79 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 124.805 1.193 . . . . 0.0 113.608 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.9 mtmt 47.26 59.39 16.53 Favored Pre-proline 0 N--CA 1.481 1.119 0 C-N-CA 126.671 1.988 . . . . 0.0 113.478 -178.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -61.67 -31.58 86.53 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 124.267 3.311 . . . . 0.0 114.589 -176.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -88.66 100.03 12.79 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.293 0.637 . . . . 0.0 111.462 -170.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -95.6 150.49 20.28 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.165 1.786 . . . . 0.0 112.251 -177.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.7 t -76.92 135.92 66.96 Favored Pre-proline 0 CA--C 1.546 0.825 0 C-N-CA 124.765 1.226 . . . . 0.0 110.284 171.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -78.34 -8.52 16.25 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 123.918 3.079 . . . . 0.0 112.523 173.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -114.63 -24.39 8.79 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.538 1.135 . . . . 0.0 113.879 -171.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.4 p -143.58 -173.97 4.11 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 123.875 0.87 . . . . 0.0 113.344 172.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.1 p -75.41 0.31 17.39 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.554 1.541 . . . . 0.0 114.666 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -60.01 145.53 46.0 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.085 1.354 . . . . 0.0 114.046 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.28 152.87 37.87 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.104 1.361 . . . . 0.0 111.617 169.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.8 t -144.34 163.56 33.37 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.16 0.984 . . . . 0.0 112.796 173.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.78 0.62 57.39 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.481 1.512 . . . . 0.0 113.719 175.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.0 mt -128.29 128.49 68.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 125.504 1.522 . . . . 0.0 108.85 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -28.82 67.03 Favored 'General case' 0 N--CA 1.481 1.112 0 O-C-N 121.148 -0.97 . . . . 0.0 113.052 -179.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.12 -33.79 76.22 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 169.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -67.96 -38.71 83.08 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.407 -0.808 . . . . 0.0 111.289 172.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.7 tp -63.63 -45.07 91.89 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.157 -0.964 . . . . 0.0 111.907 171.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -55.58 -47.04 77.09 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.235 0.925 . . . . 0.0 111.712 175.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.97 -35.4 68.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 123.155 0.582 . . . . 0.0 112.205 -176.039 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -64.95 -38.01 89.54 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.264 1.026 . . . . 0.0 113.093 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.6 mt -61.92 -21.31 64.65 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 121.444 -0.785 . . . . 0.0 113.037 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.4 mtp85 -62.98 -20.83 65.65 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.606 1.162 . . . . 0.0 113.722 177.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.4 mttm -73.18 -33.96 65.74 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.537 1.535 . . . . 0.0 112.548 174.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -82.21 24.26 0.67 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.007 1.723 . . . . 0.0 114.84 -176.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.3 p -97.74 -178.28 4.06 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.504 1.522 . . . . 0.0 111.725 175.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.91 -146.37 18.1 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 124.014 0.816 . . . . 0.0 112.666 -177.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -69.25 126.57 30.2 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 117.941 0.87 . . . . 0.0 112.932 -173.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.4 mmtt -118.71 104.43 10.6 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 126.084 1.754 . . . . 0.0 110.14 -174.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -80.53 101.45 9.13 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 125.72 1.608 . . . . 0.0 109.307 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.3 144.16 25.88 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.753 1.221 . . . . 0.0 113.018 -174.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 45.8 t -67.79 141.35 56.56 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-O 122.108 0.956 . . . . 0.0 111.735 171.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -84.16 -5.06 59.19 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.831 0.853 . . . . 0.0 111.851 173.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -120.04 -26.73 5.49 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.959 1.304 . . . . 0.0 113.488 -170.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.0 p -139.98 -176.14 4.48 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.375 1.07 . . . . 0.0 113.005 170.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.1 m -75.64 5.86 5.57 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.215 1.406 . . . . 0.0 114.097 177.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -62.18 147.04 48.99 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.558 1.143 . . . . 0.0 113.003 -178.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 82.8 p -141.2 156.24 45.95 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 125.273 1.429 . . . . 0.0 112.333 169.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.4 t -143.51 158.64 43.49 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.158 0.983 . . . . 0.0 112.088 172.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -84.32 -3.66 58.39 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.61 1.164 . . . . 0.0 112.476 170.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.4 t -116.51 130.27 56.66 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.569 1.548 . . . . 0.0 111.873 175.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -68.84 -32.0 71.38 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.437 1.495 . . . . 0.0 111.825 175.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.56 -41.25 66.04 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.241 0.924 . . . . 0.0 112.691 174.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 61.8 m170 -66.75 -31.49 72.17 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.449 -1.03 . . . . 0.0 112.449 176.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 59.0 tp -61.71 -44.22 97.35 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.036 0.834 . . . . 0.0 111.978 170.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.6 tttt -60.57 -47.39 86.4 Favored 'General case' 0 N--CA 1.464 0.236 0 O-C-N 121.589 -0.695 . . . . 0.0 110.343 175.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 96.8 t -60.49 -42.4 91.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 CA-C-N 118.325 0.511 . . . . 0.0 111.721 177.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -56.03 -46.76 78.74 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.009 0.924 . . . . 0.0 112.377 175.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 87.0 mt -70.13 -41.43 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 O-C-N 120.876 -1.14 . . . . 0.0 111.016 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -66.5 -18.05 65.15 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.242 1.417 . . . . 0.0 114.154 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 32.0 ptt85 -107.03 -41.54 5.14 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.529 1.131 . . . . 0.0 114.003 177.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.3 t -91.68 -43.71 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 CA-C-N 118.257 0.481 . . . . 0.0 111.537 -173.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -109.49 17.25 21.6 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.915 1.286 . . . . 0.0 114.183 -172.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.3 tmmm? -81.73 153.9 26.3 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.769 1.628 . . . . 0.0 110.153 170.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt 58.04 49.34 11.76 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.054 1.342 . . . . 0.0 111.906 -168.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 14.0 tt -111.05 150.08 13.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 126.435 1.894 . . . . 0.0 110.59 174.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -71.61 124.77 25.45 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.535 0.734 . . . . 0.0 111.976 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -128.88 169.86 14.1 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 127.696 2.398 . . . . 0.0 110.382 179.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -131.78 151.86 51.37 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 169.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.5 t -72.93 132.86 44.01 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.971 1.708 . . . . 0.0 112.57 178.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.08 -3.99 53.78 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 177.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -105.13 -35.54 7.57 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.661 1.184 . . . . 0.0 113.155 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.9 p -132.93 1.64 3.6 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 -176.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt 57.11 16.34 2.88 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 126.288 1.835 . . . . 0.0 115.356 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -65.53 138.29 57.97 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.701 1.2 . . . . 0.0 110.522 170.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -89.46 143.7 26.62 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.119 0.967 . . . . 0.0 112.402 178.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -135.16 130.31 35.19 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.923 1.689 . . . . 0.0 111.279 -174.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.4 m -78.47 -7.01 56.98 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -174.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -143.97 145.41 32.22 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 125.329 1.452 . . . . 0.0 109.778 169.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.8 p -62.73 -40.76 89.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-O 118.728 -0.653 . . . . 0.0 110.589 174.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 42.6 mmtm -59.66 -37.06 77.71 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 119.839 1.2 . . . . 0.0 112.637 177.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -73.98 -29.48 62.0 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 176.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.5 tp -63.77 -41.05 98.05 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.676 -0.64 . . . . 0.0 111.597 169.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 16.3 mm -61.51 -44.5 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 O-C-N 121.717 -0.614 . . . . 0.0 110.271 174.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.28 -40.69 86.91 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.675 0.79 . . . . 0.0 111.933 178.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 52.2 t60 -62.27 -44.91 95.45 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.796 1.238 . . . . 0.0 112.985 170.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 49.1 mt -60.37 -42.79 92.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-N 119.094 0.861 . . . . 0.0 110.826 175.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 91.4 mtt-85 -67.21 -17.25 64.74 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 175.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -100.45 -41.17 7.11 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.521 1.128 . . . . 0.0 113.879 177.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.27 -27.07 10.75 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.197 1.399 . . . . 0.0 114.5 -171.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -126.64 23.76 6.72 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.032 1.333 . . . . 0.0 113.322 -172.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -69.98 149.77 96.34 Favored Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 125.157 1.383 . . . . 0.0 114.49 -168.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -79.09 97.16 1.11 Allowed 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 123.999 3.132 . . . . 0.0 111.163 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -85.48 58.39 5.01 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.423 1.489 . . . . 0.0 112.015 -175.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.1 t70 . . . . . 0 C--O 1.252 1.215 0 C-N-CA 126.574 1.95 . . . . 0.0 112.906 -178.826 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.572 0 N-CA-C 111.732 -0.547 . . . . 0.0 111.732 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.0 m -67.36 151.95 46.55 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.546 1.138 . . . . 0.0 113.102 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.9 p -73.9 157.3 36.53 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.689 1.196 . . . . 0.0 112.948 174.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.89 157.51 53.08 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.161 0.886 . . . . 0.0 113.82 178.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.5 m -79.04 52.72 1.31 Allowed 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.709 1.603 . . . . 0.0 113.241 -175.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 t -68.71 -34.06 75.0 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.46 1.104 . . . . 0.0 113.35 -174.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.87 -112.1 4.5 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.668 1.128 . . . . 0.0 113.272 176.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.1 mttp 56.77 63.12 5.64 Favored Pre-proline 0 N--CA 1.48 1.05 0 C-N-CA 126.963 2.105 . . . . 0.0 113.716 177.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -62.63 -29.06 77.43 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 124.642 3.561 . . . . 0.0 115.475 -178.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -86.97 103.3 15.2 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.286 0.634 . . . . 0.0 111.163 -177.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -98.53 149.82 22.33 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 125.21 1.404 . . . . 0.0 111.992 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.8 t -76.38 136.23 68.58 Favored Pre-proline 0 CA--C 1.548 0.877 0 C-N-CA 124.273 1.029 . . . . 0.0 110.339 169.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -78.21 -11.05 16.29 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 123.982 3.121 . . . . 0.0 112.333 173.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -110.24 -27.05 9.29 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 -173.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.2 p -143.25 -176.07 4.78 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 177.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.6 p -73.91 -0.13 15.15 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.218 1.407 . . . . 0.0 114.619 -178.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -60.79 144.75 51.88 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.934 1.294 . . . . 0.0 113.82 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.47 155.73 40.86 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.559 1.144 . . . . 0.0 112.192 169.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.3 t -142.25 160.72 39.69 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.445 1.498 . . . . 0.0 112.441 178.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.83 -5.36 59.25 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.921 1.289 . . . . 0.0 113.69 170.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 61.2 mt -130.54 128.57 63.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 124.981 1.312 . . . . 0.0 110.219 -172.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -59.99 -39.15 84.74 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.923 0.889 . . . . 0.0 112.919 179.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.54 -33.83 74.5 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 174.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -76.27 -20.79 57.03 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.521 -0.737 . . . . 0.0 112.365 175.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.0 tp -78.39 -44.73 24.16 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.179 0.899 . . . . 0.0 110.748 166.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -53.76 -47.63 70.52 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.193 0.906 . . . . 0.0 111.777 176.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.8 -33.65 64.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 123.761 0.824 . . . . 0.0 112.339 -177.433 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -68.69 -39.08 80.69 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.63 1.172 . . . . 0.0 112.417 178.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 65.8 mt -64.84 -23.68 67.31 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.973 0.909 . . . . 0.0 112.679 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -57.75 -34.95 70.09 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.027 0.931 . . . . 0.0 112.385 174.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.7 mttt -67.96 -29.38 68.41 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.348 1.459 . . . . 0.0 112.449 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -82.33 0.44 41.71 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.469 1.507 . . . . 0.0 114.896 177.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 67.4 p -75.09 160.54 30.35 Favored 'General case' 0 N--CA 1.481 1.1 0 O-C-N 120.931 -1.106 . . . . 0.0 113.773 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.86 143.35 7.74 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 124.827 1.203 . . . . 0.0 112.618 -173.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -138.67 148.07 43.58 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.623 1.169 . . . . 0.0 113.347 -170.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -89.93 108.65 19.84 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.058 0.943 . . . . 0.0 109.72 168.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -85.68 107.0 17.36 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 125.833 1.653 . . . . 0.0 109.383 177.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.29 144.84 24.99 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.731 1.212 . . . . 0.0 112.718 -176.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.3 t -67.83 139.9 56.57 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 122.182 0.992 . . . . 0.0 111.582 171.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -83.22 -4.98 58.96 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.774 0.83 . . . . 0.0 111.776 173.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -119.61 -26.21 5.79 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.994 1.318 . . . . 0.0 113.434 -170.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.1 p -141.39 -175.69 4.45 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.492 1.117 . . . . 0.0 113.159 169.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.2 m -74.2 3.91 6.46 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.365 1.466 . . . . 0.0 114.081 176.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -61.2 147.2 45.04 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.233 1.013 . . . . 0.0 113.339 -178.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.3 p -144.0 149.46 36.75 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.386 1.474 . . . . 0.0 112.23 173.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.8 t -145.49 154.32 42.09 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.228 1.011 . . . . 0.0 112.025 174.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -83.83 -3.66 58.05 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.464 1.105 . . . . 0.0 113.132 176.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.5 m -124.31 127.43 47.61 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.419 1.488 . . . . 0.0 111.526 178.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -69.48 -33.98 73.68 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.334 1.053 . . . . 0.0 113.053 -174.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.15 -35.4 91.66 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 123.923 0.773 . . . . 0.0 113.049 173.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 63.5 m170 -72.26 -32.2 66.46 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.363 -1.08 . . . . 0.0 112.129 175.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.7 tp -62.42 -43.4 98.91 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.077 0.853 . . . . 0.0 111.271 169.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -57.71 -50.11 74.28 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.771 -0.581 . . . . 0.0 111.025 173.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 83.5 t -60.04 -40.25 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 CA-C-N 118.767 0.712 . . . . 0.0 111.93 177.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -56.97 -47.35 80.96 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.346 0.659 . . . . 0.0 111.676 175.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 84.2 mt -70.33 -40.31 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 120.836 -1.165 . . . . 0.0 111.304 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -68.62 -12.68 61.66 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.183 1.393 . . . . 0.0 114.318 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -113.87 -41.54 3.55 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 176.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.7 t -89.46 -47.49 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 123.016 0.527 . . . . 0.0 111.074 -174.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -104.21 21.46 16.49 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.431 1.492 . . . . 0.0 113.629 -176.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.2 tptt -66.81 151.85 46.7 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.338 1.455 . . . . 0.0 111.607 178.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? 60.56 66.36 0.94 Allowed 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 126.192 1.797 . . . . 0.0 112.22 -176.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 8.8 tt -143.45 172.2 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 126.696 1.999 . . . . 0.0 111.986 -169.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.22 134.94 55.74 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.26 1.424 . . . . 0.0 110.92 168.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -136.56 179.21 6.5 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.036 1.334 . . . . 0.0 113.824 -168.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 43.2 p-80 -131.68 147.4 52.51 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.888 1.275 . . . . 0.0 111.673 167.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 53.9 t -68.11 130.92 44.38 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.194 1.398 . . . . 0.0 112.064 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.64 -2.35 38.67 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 176.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -112.18 -36.14 5.42 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.643 1.177 . . . . 0.0 113.194 177.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.274 15.5 p -131.41 9.32 4.71 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 116.389 1.996 . . . . 0.0 116.389 -175.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 91.4 mttt 56.8 6.76 0.33 Allowed 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 127.888 2.475 . . . . 0.0 116.546 174.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.4 mttp -61.25 134.05 56.57 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 127.471 2.308 . . . . 0.0 111.238 172.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -82.82 140.68 32.81 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.56 0.744 . . . . 0.0 111.827 176.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -126.71 131.12 51.44 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.179 1.392 . . . . 0.0 111.363 -177.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.8 m -69.67 -13.41 62.29 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.959 1.304 . . . . 0.0 114.121 -173.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -148.99 141.84 24.65 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 125.358 1.463 . . . . 0.0 109.635 169.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.8 p -54.64 -38.44 42.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-O 118.694 -0.67 . . . . 0.0 111.547 171.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -60.58 -37.52 81.59 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.853 1.206 . . . . 0.0 112.174 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -76.45 -27.63 56.25 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 122.846 0.458 . . . . 0.0 112.196 175.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.5 tp -64.0 -41.06 97.61 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.605 -0.684 . . . . 0.0 111.522 169.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 19.3 mm -60.38 -44.92 97.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 CA-C-N 118.537 0.608 . . . . 0.0 110.112 175.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -42.04 87.57 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.819 0.847 . . . . 0.0 112.029 177.432 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -62.3 -44.21 97.03 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.813 1.245 . . . . 0.0 113.034 171.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 57.8 mt -63.4 -42.28 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 O-C-N 121.288 -0.882 . . . . 0.0 110.83 176.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -62.33 -23.07 66.55 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 173.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -97.22 -44.45 6.92 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.466 1.106 . . . . 0.0 113.869 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -105.72 -24.85 12.43 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.236 1.414 . . . . 0.0 114.235 -170.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 61.1 m-70 -127.54 30.09 5.4 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.344 1.458 . . . . 0.0 112.424 -175.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -54.79 139.9 60.57 Favored Pre-proline 0 CA--C 1.553 1.075 0 C-N-CA 125.81 1.644 . . . . 0.0 114.778 -169.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -78.3 156.33 29.23 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 123.795 2.997 . . . . 0.0 113.128 -175.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.01 3.43 53.44 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 125.22 1.408 . . . . 0.0 114.503 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--O 1.251 1.176 0 C-N-CA 126.408 1.883 . . . . 0.0 112.705 178.96 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.668 0 N-CA-C 111.471 -0.652 . . . . 0.0 111.471 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -62.16 -22.0 65.52 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 114.652 1.353 . . . . 0.0 114.652 -172.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.6 p -63.34 -21.46 66.28 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.984 1.313 . . . . 0.0 113.858 173.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.97 -3.17 90.68 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 124.922 1.249 . . . . 0.0 114.868 171.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.7 m 62.36 155.32 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 127.627 2.371 . . . . 0.0 114.923 -169.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 t -79.39 129.96 34.97 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.514 -0.741 . . . . 0.0 109.983 169.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.69 -133.95 51.41 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 123.217 0.437 . . . . 0.0 112.096 -170.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 51.05 61.36 13.29 Favored Pre-proline 0 N--CA 1.478 0.965 0 C-N-CA 126.036 1.735 . . . . 0.0 113.326 174.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -61.66 -29.48 83.95 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 124.543 3.496 . . . . 0.0 115.328 -175.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -86.09 102.41 13.82 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.296 0.638 . . . . 0.0 111.064 -177.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -98.06 149.81 22.09 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.522 1.529 . . . . 0.0 111.867 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.7 t -76.73 135.94 67.61 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 124.365 1.066 . . . . 0.0 110.323 170.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -77.88 -9.83 16.86 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 123.801 3.001 . . . . 0.0 112.45 174.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -114.43 -24.71 8.72 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -172.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.5 p -142.37 -175.53 4.48 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 174.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.4 p -74.49 0.14 15.7 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.399 1.479 . . . . 0.0 114.64 -178.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -59.95 145.14 47.13 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.974 1.309 . . . . 0.0 114.042 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.78 155.01 39.39 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.665 1.186 . . . . 0.0 112.139 169.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.6 t -147.41 167.21 24.94 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.837 1.255 . . . . 0.0 112.725 174.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.61 -2.49 58.65 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.246 1.419 . . . . 0.0 114.396 176.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 63.9 mt -132.24 133.84 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 125.233 1.413 . . . . 0.0 110.31 -171.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -63.1 -39.36 94.47 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.156 0.982 . . . . 0.0 112.881 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.09 -33.85 75.2 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.025 0.93 . . . . 0.0 113.127 175.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -68.52 -38.49 80.94 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.469 -0.769 . . . . 0.0 111.396 174.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.1 tp -64.99 -45.25 86.4 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.247 -0.908 . . . . 0.0 111.495 171.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -54.41 -47.25 72.99 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.248 0.931 . . . . 0.0 111.765 175.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.1 -35.18 67.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-O 121.102 0.477 . . . . 0.0 112.225 -176.114 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -65.91 -41.52 91.33 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.073 0.949 . . . . 0.0 112.582 177.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.7 mt -60.47 -21.91 62.91 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.339 1.056 . . . . 0.0 113.263 -178.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -55.57 -32.43 63.02 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.864 1.266 . . . . 0.0 113.235 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -74.25 -20.92 59.99 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -89.37 24.93 2.07 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 126.17 1.788 . . . . 0.0 113.342 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.1 p -103.5 165.2 11.18 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.366 1.467 . . . . 0.0 112.575 177.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.42 -159.19 14.15 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 124.8 1.19 . . . . 0.0 113.354 -178.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -69.61 136.93 51.84 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.824 -0.81 . . . . 0.0 112.813 -177.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt -109.29 104.73 13.91 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 125.731 1.612 . . . . 0.0 111.309 -174.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -91.32 115.92 28.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.438 -1.255 . . . . 0.0 109.608 174.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.5 146.19 24.78 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.264 1.025 . . . . 0.0 112.852 177.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.2 t -67.45 143.04 56.45 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 122.188 0.994 . . . . 0.0 111.727 171.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -82.45 -5.53 58.74 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.916 0.886 . . . . 0.0 112.053 175.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -121.62 -26.67 4.87 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.719 1.208 . . . . 0.0 113.674 -170.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.3 p -139.3 -176.61 4.59 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.427 1.091 . . . . 0.0 113.156 171.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.5 p -76.26 5.38 7.07 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.636 1.574 . . . . 0.0 114.363 176.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -60.22 146.35 43.94 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 123.945 0.898 . . . . 0.0 112.691 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 79.6 p -138.3 152.56 48.63 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 125.006 1.322 . . . . 0.0 112.064 170.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 10.8 t -141.3 153.37 45.14 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.033 0.933 . . . . 0.0 112.581 -174.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -90.45 0.8 57.16 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.118 1.367 . . . . 0.0 113.08 172.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.9 t -136.67 124.29 22.32 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.658 1.583 . . . . 0.0 111.186 174.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.3 pttt -62.27 -32.34 73.04 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.541 1.136 . . . . 0.0 112.501 172.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.85 -30.91 65.24 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 123.884 0.754 . . . . 0.0 113.361 176.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -78.09 -33.28 50.8 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.447 1.124 . . . . 0.0 112.147 169.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 66.4 tp -60.46 -38.83 85.45 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 121.461 -0.775 . . . . 0.0 111.894 172.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -55.47 -50.73 69.11 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 121.735 -0.603 . . . . 0.0 111.16 169.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.8 t -61.54 -39.12 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 122.864 0.465 . . . . 0.0 111.729 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -57.42 -45.99 84.02 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.388 0.675 . . . . 0.0 111.808 174.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.1 mt -70.34 -40.87 78.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 O-C-N 121.018 -1.051 . . . . 0.0 110.983 177.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -69.03 -13.59 62.54 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.345 1.458 . . . . 0.0 114.166 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -110.12 -41.74 4.36 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 175.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.5 t -90.25 -46.29 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 CA-C-N 118.301 0.501 . . . . 0.0 111.285 -173.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -105.21 19.05 21.27 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.104 1.362 . . . . 0.0 114.275 -173.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.13 129.82 38.58 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.605 1.562 . . . . 0.0 110.943 179.114 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.6 tptt 50.57 47.19 24.61 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 126.591 1.956 . . . . 0.0 113.593 -172.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 13.2 tt -67.02 160.07 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 125.219 1.408 . . . . 0.0 111.216 169.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -80.6 162.65 24.15 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.519 1.528 . . . . 0.0 112.214 170.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -129.55 171.15 12.88 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 126.411 1.884 . . . . 0.0 112.426 -174.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 42.7 p-80 -134.93 145.74 48.48 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.144 0.977 . . . . 0.0 111.708 167.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 41.4 t -75.29 128.24 34.97 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.432 1.493 . . . . 0.0 110.158 170.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -12.59 59.96 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 178.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -92.1 -33.86 14.59 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -176.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 29.3 p -130.57 2.27 4.53 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 115.25 1.574 . . . . 0.0 115.25 -178.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp 59.28 17.62 5.93 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 126.494 1.918 . . . . 0.0 114.854 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -69.59 134.63 49.01 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.076 1.35 . . . . 0.0 110.437 172.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -87.56 143.74 27.05 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.607 0.763 . . . . 0.0 111.9 176.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -127.52 137.22 52.57 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.29 1.436 . . . . 0.0 111.596 -175.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 36.4 m -88.57 -8.71 54.28 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.46 1.104 . . . . 0.0 113.64 -178.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -143.3 135.44 26.97 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 125.286 1.434 . . . . 0.0 109.802 173.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 10.0 p -59.85 -36.67 67.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-O 119.006 -0.521 . . . . 0.0 111.116 172.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -63.07 -34.52 77.76 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.454 1.024 . . . . 0.0 112.442 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -74.83 -32.01 61.84 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 122.965 0.506 . . . . 0.0 112.136 175.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.2 tp -62.34 -39.7 93.94 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.405 0.682 . . . . 0.0 112.004 172.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 16.9 mm -60.81 -51.05 77.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 118.458 0.572 . . . . 0.0 110.225 177.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.2 tttm -58.06 -43.04 86.69 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 176.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -56.48 -45.46 80.93 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.415 0.686 . . . . 0.0 112.137 174.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 66.9 mt -65.84 -45.36 91.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 O-C-N 121.493 -0.754 . . . . 0.0 110.936 176.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -64.46 -26.07 68.28 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 178.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -97.82 -37.73 9.73 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.482 1.113 . . . . 0.0 113.96 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.35 -23.16 12.32 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -173.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -126.25 25.4 6.65 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.583 1.553 . . . . 0.0 112.765 -175.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -51.47 138.29 29.83 Favored Pre-proline 0 CA--C 1.553 1.092 0 C-N-CA 126.227 1.811 . . . . 0.0 115.139 -173.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -55.5 161.69 7.21 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 124.87 3.713 . . . . 0.0 115.58 173.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 48.2 mm-40 59.71 31.97 21.17 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 126.026 1.731 . . . . 0.0 114.789 176.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.0 t70 . . . . . 0 C--O 1.254 1.315 0 C-N-CA 125.324 1.449 . . . . 0.0 113.411 172.486 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.627 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m -62.11 -21.82 65.31 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -171.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 m -73.47 -13.21 61.02 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.747 1.219 . . . . 0.0 114.044 176.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.47 -162.01 52.23 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 124.553 1.073 . . . . 0.0 113.939 -177.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.6 t -148.92 157.09 43.17 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.269 1.428 . . . . 0.0 111.429 177.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.6 m -68.16 134.63 50.83 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.463 1.105 . . . . 0.0 112.922 -176.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.8 172.1 55.21 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 124.284 0.945 . . . . 0.0 113.567 172.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -112.31 73.83 1.41 Allowed Pre-proline 0 CA--C 1.544 0.73 0 C-N-CA 127.791 2.437 . . . . 0.0 112.193 -178.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 20' ' ' ALA . 53.0 Cg_endo -71.78 -27.88 17.51 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 124.268 3.312 . . . . 0.0 115.27 -177.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -82.65 98.38 9.0 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.407 0.549 . . . . 0.0 110.886 -175.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -92.05 148.64 22.03 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 126.076 1.75 . . . . 0.0 112.249 -178.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.1 t -76.73 133.45 70.17 Favored Pre-proline 0 CA--C 1.548 0.867 0 C-N-CA 124.365 1.066 . . . . 0.0 109.863 169.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -77.74 -6.65 16.22 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 123.982 3.122 . . . . 0.0 112.217 172.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -113.75 -28.24 7.51 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.815 1.246 . . . . 0.0 113.246 -170.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.3 p -143.3 -173.31 3.9 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.054 0.941 . . . . 0.0 113.001 174.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.0 p -75.4 0.22 17.7 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.317 1.447 . . . . 0.0 114.787 -177.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -61.17 146.09 48.81 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.157 1.383 . . . . 0.0 114.227 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.91 153.09 36.09 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.11 1.364 . . . . 0.0 111.872 169.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.8 t -146.15 153.09 40.27 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 174.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.441 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -62.45 -14.45 41.14 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.981 1.712 . . . . 0.0 115.252 168.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.9 mt -126.07 133.43 68.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.234 1.014 . . . . 0.0 111.381 -169.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -61.01 -43.36 99.0 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.108 1.363 . . . . 0.0 112.68 176.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.4 -35.28 73.66 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.66 0.784 . . . . 0.0 113.092 175.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -68.2 -39.33 82.46 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.637 -0.664 . . . . 0.0 111.635 174.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.3 tp -63.93 -45.74 87.91 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.15 -0.969 . . . . 0.0 111.478 171.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -56.0 -45.27 79.1 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 118.896 0.771 . . . . 0.0 111.748 177.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.22 -36.38 67.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 123.162 0.585 . . . . 0.0 112.178 -177.055 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -64.01 -41.69 97.39 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.534 1.134 . . . . 0.0 112.88 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.7 mt -59.72 -23.99 63.62 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.893 0.877 . . . . 0.0 112.969 -178.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -58.8 -29.49 66.89 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.582 1.153 . . . . 0.0 113.138 -178.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -73.56 -22.8 59.96 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 63.0 m-70 -85.48 3.71 39.06 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.548 1.539 . . . . 0.0 113.91 -177.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.5 t -144.85 175.52 10.14 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.69 1.596 . . . . 0.0 111.799 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.96 -155.39 53.05 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 125.823 1.677 . . . . 0.0 114.539 170.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -130.62 129.36 42.61 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.006 1.322 . . . . 0.0 111.137 171.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -83.03 112.42 19.76 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.453 0.644 . . . . 0.0 111.645 174.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -101.68 121.32 41.81 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.223 1.409 . . . . 0.0 108.904 169.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.62 146.78 23.77 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.671 1.189 . . . . 0.0 113.208 177.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.6 t -66.89 142.97 57.12 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 122.117 0.96 . . . . 0.0 111.763 171.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -83.11 -5.71 59.21 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.768 0.827 . . . . 0.0 111.937 175.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -120.42 -26.95 5.29 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.547 1.139 . . . . 0.0 113.498 -171.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.1 p -138.94 -178.07 5.16 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.171 0.989 . . . . 0.0 113.12 171.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.6 p -75.43 5.42 5.83 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.495 1.518 . . . . 0.0 114.293 177.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -62.07 148.25 44.79 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 124.916 1.286 . . . . 0.0 112.966 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.9 p -138.85 151.47 47.03 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 125.088 1.355 . . . . 0.0 111.89 170.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.9 t -142.41 152.75 43.11 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.201 1.001 . . . . 0.0 112.012 178.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -85.02 2.46 43.1 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.952 1.301 . . . . 0.0 113.326 177.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.9 t -136.32 130.49 32.99 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.642 1.577 . . . . 0.0 111.368 172.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.2 pttt -64.9 -31.69 73.04 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 125.01 1.324 . . . . 0.0 112.667 173.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.4 -38.11 62.48 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 123.541 0.591 . . . . 0.0 112.653 176.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 63.6 m170 -71.65 -33.12 68.64 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.312 -1.11 . . . . 0.0 112.12 171.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.0 tp -63.61 -40.54 97.16 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.343 -0.848 . . . . 0.0 112.299 170.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -57.08 -47.73 80.3 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 121.588 -0.695 . . . . 0.0 110.697 171.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 75.5 t -61.0 -40.75 86.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 CA-C-N 118.577 0.626 . . . . 0.0 111.859 177.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -56.87 -46.12 82.04 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.512 0.725 . . . . 0.0 112.002 174.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 94.4 mt -71.08 -41.59 76.27 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 O-C-N 120.782 -1.199 . . . . 0.0 111.238 178.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -64.53 -20.4 66.2 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.339 1.455 . . . . 0.0 113.912 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.8 ptt180 -106.83 -40.69 5.42 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 179.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.4 t -91.47 -44.81 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-N 118.268 0.485 . . . . 0.0 111.432 -174.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -111.67 18.86 18.62 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 -170.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.4 tmmm? -87.98 136.01 33.15 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.635 1.574 . . . . 0.0 110.604 177.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt 51.45 46.28 26.74 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.798 1.639 . . . . 0.0 112.701 -169.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 13.8 tt -86.92 149.27 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.685 1.594 . . . . 0.0 111.624 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -72.03 149.12 45.19 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.593 0.757 . . . . 0.0 111.071 170.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -118.95 166.54 12.73 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.524 1.53 . . . . 0.0 111.55 -175.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 25.4 p-80 -131.48 148.75 52.67 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.81 0.844 . . . . 0.0 112.568 171.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 53.7 t -69.28 135.82 51.02 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.975 1.31 . . . . 0.0 113.204 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -23.92 66.1 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.73 1.612 . . . . 0.0 113.176 176.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -108.89 -32.53 7.25 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 -168.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.1 p -130.9 2.59 4.39 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 115.397 1.629 . . . . 0.0 115.397 -178.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp 57.61 13.81 2.09 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 126.503 1.921 . . . . 0.0 115.38 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 41.6 tttp -61.03 135.35 57.76 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.266 1.426 . . . . 0.0 110.385 172.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -89.64 142.68 27.46 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.809 0.844 . . . . 0.0 112.448 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -133.19 129.63 38.04 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.036 1.734 . . . . 0.0 111.753 -172.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 26.7 m -78.86 -12.42 60.03 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 114.109 1.152 . . . . 0.0 114.109 -176.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -138.38 136.11 36.0 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.463 1.505 . . . . 0.0 109.588 171.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.3 p -59.58 -36.73 66.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 118.92 -0.562 . . . . 0.0 111.482 173.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -62.81 -36.37 82.96 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.652 1.115 . . . . 0.0 111.991 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -72.73 -31.35 64.89 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 175.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.9 tp -63.05 -40.44 97.7 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 118.31 0.505 . . . . 0.0 112.008 171.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 16.6 mm -61.08 -46.56 96.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 CA-C-N 118.498 0.59 . . . . 0.0 110.206 176.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -59.67 -41.2 90.13 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.425 0.69 . . . . 0.0 111.983 177.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 63.9 t60 -60.19 -44.8 94.8 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.903 0.881 . . . . 0.0 112.822 171.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 63.5 mt -64.08 -43.36 97.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 O-C-N 121.228 -0.92 . . . . 0.0 110.914 176.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -64.29 -23.38 67.28 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 175.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -97.0 -42.67 7.79 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.524 1.13 . . . . 0.0 113.482 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -104.43 -24.86 13.0 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.704 1.202 . . . . 0.0 114.19 -171.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -129.24 26.89 5.4 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.12 1.368 . . . . 0.0 113.257 -172.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -52.85 136.94 45.73 Favored Pre-proline 0 CA--C 1.554 1.097 0 C-N-CA 125.68 1.592 . . . . 0.0 114.524 -172.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -53.72 143.19 59.32 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 124.609 3.539 . . . . 0.0 114.539 175.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -87.79 -8.73 55.56 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.451 1.1 . . . . 0.0 113.863 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 . . . . . 0 C--O 1.254 1.315 0 C-N-CA 126.672 1.989 . . . . 0.0 113.191 -179.223 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.545 0 N-CA-C 112.028 -0.429 . . . . 0.0 112.028 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 m -68.6 151.52 46.62 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.571 1.148 . . . . 0.0 113.258 -178.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.5 m -67.83 152.81 44.97 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.588 1.155 . . . . 0.0 112.883 177.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.76 156.16 53.41 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 123.979 0.799 . . . . 0.0 113.679 175.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 t -79.92 148.18 31.36 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.014 0.925 . . . . 0.0 112.726 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.2 m -85.9 150.82 24.25 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.981 1.313 . . . . 0.0 112.978 -177.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.8 -151.0 51.82 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 124.091 0.853 . . . . 0.0 113.974 177.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -113.24 71.33 1.48 Allowed Pre-proline 0 CA--C 1.547 0.853 0 C-N-CA 128.122 2.569 . . . . 0.0 112.259 -176.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.443 ' HD2' ' HA ' ' A' ' 20' ' ' ALA . 38.0 Cg_endo -67.27 -30.88 36.64 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 124.215 3.277 . . . . 0.0 115.244 -177.248 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -81.51 106.58 13.57 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.116 0.566 . . . . 0.0 110.687 -175.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -99.17 149.41 23.1 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.267 1.427 . . . . 0.0 112.294 -175.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.2 t -76.26 133.06 72.12 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 123.688 0.795 . . . . 0.0 109.99 170.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -77.49 -6.98 16.68 Favored 'Trans proline' 0 CA--C 1.542 0.918 0 C-N-CA 123.83 3.02 . . . . 0.0 112.226 172.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -113.49 -28.67 7.45 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.861 1.265 . . . . 0.0 113.128 -170.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.4 p -143.54 -172.94 3.82 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.988 0.915 . . . . 0.0 113.14 175.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.9 p -76.0 0.74 17.5 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.367 1.467 . . . . 0.0 114.681 -177.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -61.16 147.03 45.47 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.169 1.388 . . . . 0.0 114.126 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.24 152.9 37.97 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.291 1.436 . . . . 0.0 111.739 172.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.6 t -147.61 152.72 38.37 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 171.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.443 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -62.11 -14.09 33.3 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 115.833 1.79 . . . . 0.0 115.833 168.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 49.4 mt -127.29 135.06 64.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 124.456 1.102 . . . . 0.0 111.195 -169.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -61.69 -42.57 99.11 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.349 1.06 . . . . 0.0 112.675 176.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.62 -35.99 75.45 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.821 0.848 . . . . 0.0 112.785 175.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -70.5 -26.55 63.65 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.646 -0.658 . . . . 0.0 112.477 175.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.7 tp -74.93 -45.62 41.27 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.342 0.974 . . . . 0.0 111.043 168.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -54.83 -45.36 74.45 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 118.869 0.759 . . . . 0.0 111.732 177.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.44 -35.32 66.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 123.611 0.764 . . . . 0.0 112.375 -176.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -65.61 -41.29 92.89 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.583 1.153 . . . . 0.0 112.668 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.8 mt -59.81 -24.8 64.44 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.807 0.843 . . . . 0.0 112.601 -178.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -56.82 -30.72 64.02 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.888 1.275 . . . . 0.0 112.817 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.56 -24.11 58.88 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -80.54 -6.47 58.27 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.71 1.204 . . . . 0.0 113.09 175.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 36.8 p -117.53 -47.1 2.65 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 125.309 1.443 . . . . 0.0 111.78 178.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 175.65 109.44 0.24 Allowed Glycine 0 CA--C 1.532 1.113 0 C-N-CA 125.302 1.429 . . . . 0.0 111.637 169.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -65.68 137.25 57.18 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -173.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -90.01 109.32 20.37 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.757 0.823 . . . . 0.0 111.155 177.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -87.71 106.01 17.76 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 126.631 1.972 . . . . 0.0 108.814 174.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -97.5 144.27 27.38 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.594 1.157 . . . . 0.0 113.071 -174.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.8 t -68.93 140.3 55.1 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 122.223 1.011 . . . . 0.0 111.738 172.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -83.62 -5.3 59.14 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.867 0.867 . . . . 0.0 111.805 173.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -119.86 -26.72 5.56 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.986 1.314 . . . . 0.0 113.475 -170.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 29.2 p -139.88 -176.55 4.62 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.097 0.959 . . . . 0.0 113.214 170.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.1 m -73.42 3.65 5.73 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.281 1.432 . . . . 0.0 113.968 176.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -60.79 145.08 51.08 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.279 1.032 . . . . 0.0 113.212 -179.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 34.2 p -143.7 150.52 38.8 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 125.602 1.561 . . . . 0.0 112.033 172.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.7 t -145.36 164.57 31.06 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.807 1.243 . . . . 0.0 111.584 175.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.4 mp -91.77 12.03 22.7 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.193 1.397 . . . . 0.0 113.322 170.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.9 t -132.26 125.73 31.74 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.179 1.391 . . . . 0.0 112.599 172.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.2 pttt -61.36 -34.11 74.75 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.37 1.468 . . . . 0.0 112.039 169.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.44 -42.6 81.28 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 123.951 0.786 . . . . 0.0 112.489 176.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -70.23 -34.28 72.69 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.579 -0.953 . . . . 0.0 112.157 174.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 61.4 tp -58.9 -43.09 90.95 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 118.954 0.797 . . . . 0.0 111.866 170.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -59.83 -48.79 80.26 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.692 -0.63 . . . . 0.0 110.979 175.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 89.4 t -61.91 -39.37 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 122.891 0.477 . . . . 0.0 111.692 178.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -58.17 -45.02 88.24 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.819 0.848 . . . . 0.0 112.031 175.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 88.3 mt -70.56 -40.73 77.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 O-C-N 120.976 -1.078 . . . . 0.0 111.05 177.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -67.12 -18.51 65.33 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.926 1.29 . . . . 0.0 113.987 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -105.2 -42.04 5.39 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.547 1.139 . . . . 0.0 113.905 178.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 23.7 t -92.36 -44.29 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 CA-C-N 118.188 0.449 . . . . 0.0 111.647 -173.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -110.02 22.09 16.02 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.135 1.374 . . . . 0.0 113.671 -172.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.5 tmmm? -86.41 149.27 25.12 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.803 1.641 . . . . 0.0 110.317 172.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 75.0 tttt 55.38 48.18 19.65 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.894 1.678 . . . . 0.0 112.368 -168.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 13.3 tt -105.9 150.01 8.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 126.09 1.756 . . . . 0.0 111.738 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -68.27 133.6 49.06 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.626 0.77 . . . . 0.0 111.874 177.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -141.55 169.21 18.04 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 127.896 2.478 . . . . 0.0 109.533 178.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 30.2 p-80 -140.06 153.69 46.85 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 170.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.0 t -75.5 129.98 38.15 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.101 1.76 . . . . 0.0 112.24 178.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.0 -10.97 59.72 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 177.232 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -98.23 -34.49 10.7 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -178.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 23.7 p -131.19 3.34 4.32 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 -177.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt 58.61 14.19 2.97 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 126.587 1.955 . . . . 0.0 115.062 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -67.31 137.67 56.23 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.865 1.266 . . . . 0.0 110.795 174.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -86.39 144.79 27.15 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.07 0.948 . . . . 0.0 112.406 176.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -132.81 143.78 49.78 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.807 2.043 . . . . 0.0 110.978 -175.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 48.8 m -95.76 1.57 53.39 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -175.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -152.06 145.2 24.6 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 125.302 1.441 . . . . 0.0 109.775 168.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.6 p -63.68 -39.14 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 CA-C-O 118.773 -0.632 . . . . 0.0 111.995 176.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -65.92 -34.02 77.17 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 120.01 1.277 . . . . 0.0 111.548 179.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -70.44 -33.06 70.87 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 173.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.34 -40.74 97.36 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.777 -0.577 . . . . 0.0 111.906 170.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 15.7 mm -62.32 -45.05 99.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 O-C-N 121.581 -0.699 . . . . 0.0 110.61 175.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -59.45 -40.88 88.29 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.241 0.616 . . . . 0.0 111.778 177.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -60.07 -46.61 88.98 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.859 0.864 . . . . 0.0 112.874 170.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 57.9 mt -61.75 -43.84 97.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-N 118.923 0.783 . . . . 0.0 110.768 177.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -63.09 -23.27 67.36 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 176.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -97.08 -43.88 7.22 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.456 1.102 . . . . 0.0 113.557 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -103.27 -25.93 13.15 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.018 1.327 . . . . 0.0 114.226 -171.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -129.53 33.34 4.5 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.844 1.658 . . . . 0.0 111.746 -175.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -49.6 138.38 16.61 Favored Pre-proline 0 CA--C 1.549 0.934 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 -167.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -82.02 166.57 16.67 Favored 'Trans proline' 0 CA--C 1.541 0.831 0 C-N-CA 124.345 3.363 . . . . 0.0 112.178 171.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -123.74 130.78 53.16 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.11 1.364 . . . . 0.0 109.943 174.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 32.6 t70 . . . . . 0 C--O 1.253 1.288 0 C-N-CA 126.569 1.948 . . . . 0.0 112.693 -177.764 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.578 0 N-CA-C 111.87 -0.492 . . . . 0.0 111.87 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 m -67.27 146.3 54.28 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.453 1.101 . . . . 0.0 112.941 -178.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.0 p -87.79 -18.38 29.49 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 -177.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.22 147.59 36.31 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 124.431 1.015 . . . . 0.0 113.858 178.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.7 m -143.94 151.58 39.97 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.549 1.539 . . . . 0.0 111.884 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t 59.79 175.46 0.08 Allowed 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.433 1.893 . . . . 0.0 115.123 -177.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.49 6.72 2.2 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 126.179 1.847 . . . . 0.0 114.942 178.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.9 mtmt 49.01 63.37 10.54 Favored Pre-proline 0 N--CA 1.48 1.049 0 C-N-CA 126.041 1.736 . . . . 0.0 112.665 -178.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -60.92 -28.4 86.28 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 124.929 3.753 . . . . 0.0 115.478 -173.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -87.29 103.33 15.36 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.321 0.648 . . . . 0.0 111.068 -178.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -100.11 149.81 23.13 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.569 1.548 . . . . 0.0 112.002 -178.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.1 t -75.71 136.91 70.41 Favored Pre-proline 0 CA--C 1.547 0.841 0 C-N-CA 124.294 1.038 . . . . 0.0 110.621 170.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -77.89 -10.61 16.78 Favored 'Trans proline' 0 CA--C 1.541 0.843 0 C-N-CA 123.842 3.028 . . . . 0.0 112.465 174.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -112.22 -26.65 8.69 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -173.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.7 p -142.05 -176.26 4.73 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 176.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.9 p -73.9 0.45 13.35 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.339 1.455 . . . . 0.0 114.532 -178.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -60.2 144.83 49.15 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.795 1.238 . . . . 0.0 113.81 178.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.43 156.13 40.89 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.711 1.204 . . . . 0.0 112.091 169.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.4 t -146.67 164.74 31.72 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.816 1.246 . . . . 0.0 112.667 173.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.21 -3.86 57.83 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.212 1.405 . . . . 0.0 114.442 173.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 61.4 mt -130.96 134.12 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.131 1.373 . . . . 0.0 109.97 -171.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -66.35 -37.95 86.49 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.405 -0.81 . . . . 0.0 112.914 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.47 -35.75 70.58 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.444 0.698 . . . . 0.0 112.701 175.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -68.56 -38.89 81.13 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.63 0.772 . . . . 0.0 111.872 173.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.8 tp -65.2 -45.61 84.1 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.054 -1.029 . . . . 0.0 111.826 171.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -55.05 -45.43 75.29 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.96 0.8 . . . . 0.0 111.34 176.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.5 -36.99 68.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 123.219 0.608 . . . . 0.0 112.396 -177.089 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -62.67 -41.21 98.95 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.224 1.01 . . . . 0.0 112.789 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 65.4 mt -58.22 -26.69 63.14 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.938 0.895 . . . . 0.0 112.805 -177.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.9 mtp85 -57.61 -25.86 60.7 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.186 1.395 . . . . 0.0 113.635 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt -77.84 -19.46 54.84 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 176.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -89.04 -23.35 22.59 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.776 1.23 . . . . 0.0 112.928 174.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 33.3 p -81.56 -34.89 30.83 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 118.986 0.812 . . . . 0.0 112.575 176.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.17 162.78 52.89 Favored Glycine 0 CA--C 1.54 1.639 0 C-N-CA 125.248 1.404 . . . . 0.0 113.896 176.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -74.12 122.99 23.59 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.598 -0.942 . . . . 0.0 112.744 -174.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -101.97 107.12 18.17 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 125.513 1.525 . . . . 0.0 111.789 -174.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -91.62 117.65 29.92 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.782 1.233 . . . . 0.0 109.762 172.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.93 147.56 22.87 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.693 1.197 . . . . 0.0 113.809 179.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.8 t -67.94 143.73 55.52 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 122.252 1.025 . . . . 0.0 112.118 170.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -83.43 -7.24 59.59 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.004 0.922 . . . . 0.0 112.003 175.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -118.64 -27.25 5.93 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.595 1.158 . . . . 0.0 113.463 -172.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.1 p -139.56 -179.33 5.84 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 173.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.8 m -73.31 5.02 3.92 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.271 1.428 . . . . 0.0 114.086 177.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 94.1 t80 -60.87 146.61 45.89 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 124.165 0.986 . . . . 0.0 112.593 178.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.4 p -138.9 152.82 48.08 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 124.975 1.31 . . . . 0.0 111.937 170.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 10.5 t -140.55 153.86 46.3 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.344 1.057 . . . . 0.0 111.914 -176.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -88.08 0.39 56.04 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.091 1.356 . . . . 0.0 112.505 171.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.1 t -131.09 122.79 27.33 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.852 1.661 . . . . 0.0 111.575 174.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -60.04 -31.37 69.91 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.748 1.219 . . . . 0.0 112.947 171.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -77.44 -37.71 30.59 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.241 0.924 . . . . 0.0 112.818 -178.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -72.58 -33.38 66.71 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 118.875 1.337 . . . . 0.0 111.143 172.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.2 tp -57.34 -37.51 72.67 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.188 -0.945 . . . . 0.0 112.415 173.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 65.6 tttt -60.28 -49.18 78.61 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.455 -0.778 . . . . 0.0 110.408 171.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.0 t -59.11 -42.52 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 CA-C-N 118.759 0.709 . . . . 0.0 112.071 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -54.14 -42.65 69.78 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.978 0.911 . . . . 0.0 111.936 173.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 81.4 mt -71.6 -40.36 70.98 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 O-C-N 120.877 -1.139 . . . . 0.0 111.15 174.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -63.55 -20.26 65.48 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.621 1.169 . . . . 0.0 114.097 178.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -108.82 -39.42 5.34 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.801 1.24 . . . . 0.0 113.906 -177.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.3 t -93.63 -42.57 13.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-N 118.049 0.386 . . . . 0.0 111.744 -175.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -116.34 18.29 15.27 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 115.213 1.56 . . . . 0.0 115.213 -169.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.7 tmmm? -84.54 135.24 34.3 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.043 1.337 . . . . 0.0 111.523 -177.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 67.7 mttm 49.13 44.45 22.97 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 126.323 1.849 . . . . 0.0 113.466 -171.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 11.9 tt -90.93 156.98 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 125.733 1.613 . . . . 0.0 112.056 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -130.38 144.24 51.27 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.556 1.542 . . . . 0.0 109.652 167.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -91.38 163.73 14.09 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.877 0.871 . . . . 0.0 110.711 -178.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 43.9 p-80 -140.54 148.8 41.57 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.265 -0.897 . . . . 0.0 113.264 169.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 51.7 t -77.69 125.58 29.55 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.369 1.468 . . . . 0.0 109.95 169.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.45 -18.48 59.87 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 176.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -85.52 -34.6 21.51 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.91 0.884 . . . . 0.0 113.365 -174.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.0 p -128.69 3.98 5.5 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm 60.73 15.68 6.05 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 126.832 2.053 . . . . 0.0 115.103 177.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -69.99 140.79 52.98 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.159 1.784 . . . . 0.0 111.365 175.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -95.42 146.16 24.61 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.251 1.021 . . . . 0.0 111.431 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -134.22 130.09 36.67 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.502 1.521 . . . . 0.0 112.193 -171.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 55.4 p -81.97 -14.47 55.99 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.487 1.515 . . . . 0.0 113.922 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -137.47 134.69 36.07 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 125.524 1.53 . . . . 0.0 109.976 172.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.6 p -60.27 -35.98 65.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 118.956 -0.545 . . . . 0.0 111.481 173.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -62.24 -37.53 85.77 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 119.531 1.06 . . . . 0.0 111.892 179.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -72.34 -30.81 65.09 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 174.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.9 tp -62.1 -42.63 99.41 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 118.782 0.719 . . . . 0.0 111.565 170.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 12.8 mm -61.86 -48.07 90.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-N 118.722 0.692 . . . . 0.0 110.486 177.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -59.03 -40.79 86.1 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.901 0.88 . . . . 0.0 112.113 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -61.61 -46.32 90.31 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.203 1.001 . . . . 0.0 112.924 171.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 58.9 mt -62.52 -42.48 95.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 CA-C-N 119.121 0.873 . . . . 0.0 110.726 176.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -63.19 -24.52 67.92 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 175.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -97.27 -45.1 6.63 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.727 1.211 . . . . 0.0 113.421 -179.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -99.73 -26.08 14.17 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.043 1.337 . . . . 0.0 114.024 -172.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 59.2 m-70 -132.45 30.41 4.15 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.133 1.373 . . . . 0.0 113.215 -170.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -51.25 132.61 32.49 Favored Pre-proline 0 CA--C 1.553 1.072 0 C-N-CA 124.777 1.231 . . . . 0.0 114.179 -169.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.03 137.99 22.37 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 123.28 2.653 . . . . 0.0 112.067 -177.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -139.41 124.99 19.33 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.916 1.286 . . . . 0.0 110.211 177.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 C--O 1.251 1.15 0 C-N-CA 125.332 1.453 . . . . 0.0 113.62 178.629 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.61 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 m -65.32 -13.01 57.51 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 115.359 1.614 . . . . 0.0 115.359 -172.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.1 p -74.57 -13.71 60.69 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.273 1.429 . . . . 0.0 114.02 172.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.76 -170.21 13.12 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 125.992 1.758 . . . . 0.0 113.744 177.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.0 m 60.92 173.94 0.1 Allowed 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 126.618 1.967 . . . . 0.0 115.118 -177.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -147.33 162.02 39.81 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.399 1.48 . . . . 0.0 111.49 177.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.86 147.54 49.62 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 124.438 1.018 . . . . 0.0 113.465 179.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -114.96 74.61 3.58 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 127.948 2.499 . . . . 0.0 112.672 -171.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 20' ' ' ALA . 57.0 Cg_endo -72.99 -30.54 10.8 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 124.199 3.266 . . . . 0.0 115.228 -178.418 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -81.96 104.25 12.18 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.066 0.546 . . . . 0.0 110.875 -173.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -93.11 149.68 21.05 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.03 1.332 . . . . 0.0 112.351 -174.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.4 t -77.74 132.32 68.59 Favored Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 123.743 0.817 . . . . 0.0 109.537 169.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -77.24 -6.11 16.23 Favored 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 123.821 3.014 . . . . 0.0 112.278 173.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -115.34 -27.67 7.15 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.844 1.257 . . . . 0.0 113.359 -169.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.8 p -144.5 -174.6 4.36 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.85 0.86 . . . . 0.0 113.234 174.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.0 m -72.63 -0.08 12.01 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.344 1.458 . . . . 0.0 114.617 -177.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -62.34 145.67 53.23 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.955 1.302 . . . . 0.0 113.871 -178.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -144.47 149.61 36.27 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.574 1.55 . . . . 0.0 110.878 172.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.4 p -143.92 143.2 31.16 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.619 1.167 . . . . 0.0 113.37 -174.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.402 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -67.3 -13.72 62.25 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 116.209 1.929 . . . . 0.0 116.209 171.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 65.8 mt -137.12 131.29 45.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.091 1.357 . . . . 0.0 109.802 -169.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -62.42 -35.71 80.1 Favored 'General case' 0 N--CA 1.479 0.975 0 O-C-N 121.314 -0.866 . . . . 0.0 113.171 178.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.13 -35.54 71.65 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.039 0.836 . . . . 0.0 112.61 172.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 -74.75 -23.36 58.54 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.643 0.777 . . . . 0.0 112.452 175.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.4 tp -76.28 -46.65 26.92 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.299 -0.876 . . . . 0.0 111.097 167.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -54.08 -44.43 71.18 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.794 0.838 . . . . 0.0 111.413 178.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.91 -34.96 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 123.687 0.795 . . . . 0.0 112.484 -178.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -66.92 -39.89 87.5 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.691 1.196 . . . . 0.0 112.748 -179.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.7 mt -60.05 -22.67 62.97 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.991 0.917 . . . . 0.0 113.189 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.74 -23.02 64.62 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.271 1.428 . . . . 0.0 114.026 -177.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -79.77 -23.29 42.29 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 114.185 1.179 . . . . 0.0 114.185 176.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -88.03 -8.19 55.95 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -175.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 66.9 p -72.9 -35.51 67.12 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.266 -0.896 . . . . 0.0 112.644 177.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -93.82 -154.08 30.77 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 125.834 1.683 . . . . 0.0 113.299 179.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -127.39 144.47 51.05 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.933 1.293 . . . . 0.0 112.57 178.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt -94.85 107.61 19.63 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.077 1.351 . . . . 0.0 110.891 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -94.17 109.02 20.84 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 125.962 1.705 . . . . 0.0 109.279 177.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.42 145.31 24.86 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.895 1.278 . . . . 0.0 113.319 -174.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.5 t -68.52 141.3 55.58 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 122.013 0.911 . . . . 0.0 111.683 172.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -84.54 -4.84 59.18 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.822 0.849 . . . . 0.0 111.795 173.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -119.87 -26.79 5.54 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.984 1.314 . . . . 0.0 113.458 -170.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.9 p -139.1 -175.52 4.19 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.423 1.089 . . . . 0.0 112.896 169.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.0 p -76.52 5.12 7.84 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.496 1.518 . . . . 0.0 114.299 177.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -61.67 146.79 48.02 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.807 1.243 . . . . 0.0 113.253 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 79.7 p -140.59 155.85 46.45 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.355 1.462 . . . . 0.0 112.174 169.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.5 t -146.11 157.08 43.83 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.93 0.892 . . . . 0.0 112.408 177.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.33 -3.6 58.89 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.416 1.486 . . . . 0.0 114.098 179.126 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.3 m -134.01 134.48 42.5 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.407 1.483 . . . . 0.0 111.81 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -69.65 -34.72 74.41 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.474 1.11 . . . . 0.0 112.901 -175.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -66.59 -32.76 82.47 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 123.737 0.684 . . . . 0.0 113.253 173.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -74.16 -32.48 63.13 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.294 -1.121 . . . . 0.0 112.091 174.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.62 -43.99 97.83 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.032 0.833 . . . . 0.0 110.987 169.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -56.17 -50.77 70.23 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 118.886 -0.578 . . . . 0.0 111.055 173.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.8 t -60.1 -39.93 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-N 118.775 0.716 . . . . 0.0 111.886 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -57.31 -47.01 82.62 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.257 0.623 . . . . 0.0 112.083 175.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.3 mt -70.29 -40.63 78.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 O-C-N 120.909 -1.119 . . . . 0.0 110.98 178.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -69.0 -12.46 61.7 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.649 1.58 . . . . 0.0 114.403 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -111.65 -40.69 4.25 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 174.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.8 t -90.83 -46.68 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-N 118.329 0.513 . . . . 0.0 111.384 -173.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -108.32 18.84 20.59 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.989 1.316 . . . . 0.0 114.385 -173.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.23 120.53 12.9 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.479 1.511 . . . . 0.0 111.021 -176.161 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.8 ttpp 47.34 52.91 11.6 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.443 1.897 . . . . 0.0 113.307 -172.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 17.3 tt -62.87 144.91 13.99 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 C-N-CA 123.912 0.885 . . . . 0.0 111.476 173.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -72.28 154.8 40.77 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.181 0.992 . . . . 0.0 111.912 177.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 44.1 mm-40 -131.54 173.7 10.85 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.396 1.478 . . . . 0.0 111.734 -174.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 42.6 p-80 -131.72 145.13 51.46 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 173.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.1 t -76.02 124.08 26.8 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.543 1.537 . . . . 0.0 109.007 168.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.83 -14.27 59.62 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 175.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -89.32 -36.34 15.6 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.144 0.978 . . . . 0.0 113.001 -177.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.269 16.7 p -129.86 10.62 5.53 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 116.1 1.889 . . . . 0.0 116.1 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.0 mmtt 59.54 13.23 3.2 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 127.498 2.319 . . . . 0.0 115.212 172.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 35.8 mttp -72.76 141.55 48.12 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 127.193 2.197 . . . . 0.0 111.473 176.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 63.0 mtpt -96.64 142.6 28.49 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.144 0.978 . . . . 0.0 111.752 175.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -125.9 141.86 51.78 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.911 1.684 . . . . 0.0 113.039 -169.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 49.2 p -75.73 -20.49 58.29 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.306 1.842 . . . . 0.0 114.724 -172.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -151.67 143.86 23.98 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.887 2.075 . . . . 0.0 107.676 178.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.6 p -56.97 -37.09 52.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 O-C-N 121.56 -0.713 . . . . 0.0 111.25 171.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -62.84 -34.95 78.41 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.485 1.039 . . . . 0.0 112.269 178.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -72.61 -34.87 67.66 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.355 0.662 . . . . 0.0 111.622 175.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.3 tp -61.55 -40.75 95.82 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.448 0.699 . . . . 0.0 112.015 173.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 13.3 mm -61.56 -46.58 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 O-C-N 121.695 -0.628 . . . . 0.0 110.407 177.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -61.75 -40.75 96.22 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.263 0.625 . . . . 0.0 111.887 178.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 64.6 t60 -58.59 -45.1 89.81 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.881 0.872 . . . . 0.0 112.666 170.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 50.0 mt -63.17 -44.24 99.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 O-C-N 121.374 -0.829 . . . . 0.0 111.05 176.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -66.0 -21.8 66.42 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 177.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -97.11 -40.66 8.71 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.62 1.168 . . . . 0.0 113.687 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.23 -25.27 11.58 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -172.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -126.44 25.82 6.47 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.31 1.444 . . . . 0.0 113.249 -173.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -55.0 138.21 65.35 Favored Pre-proline 0 CA--C 1.551 0.983 0 C-N-CA 125.473 1.509 . . . . 0.0 113.935 -174.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.35 152.44 49.63 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 123.808 3.005 . . . . 0.0 113.14 -175.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -107.84 124.84 50.68 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.996 1.718 . . . . 0.0 110.352 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.3 t70 . . . . . 0 C--O 1.25 1.129 0 C-N-CA 125.648 1.579 . . . . 0.0 113.052 170.865 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.547 0 N-CA-C 111.729 -0.548 . . . . 0.0 111.729 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.0 p -77.15 166.49 23.18 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.005 1.322 . . . . 0.0 113.299 177.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.9 t -143.28 147.63 35.09 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.192 1.397 . . . . 0.0 111.818 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.15 -18.21 62.37 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.395 0.998 . . . . 0.0 114.292 176.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.0 m -67.09 -21.17 65.88 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.439 1.096 . . . . 0.0 113.226 172.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.6 m -95.78 45.49 1.08 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.927 1.691 . . . . 0.0 111.719 177.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.66 141.53 40.54 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.375 1.464 . . . . 0.0 114.363 -173.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -119.26 75.97 16.33 Favored Pre-proline 0 CA--C 1.54 0.584 0 C-N-CA 128.166 2.586 . . . . 0.0 110.802 -169.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -68.57 -27.97 32.16 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.688 2.925 . . . . 0.0 114.172 -178.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -86.97 93.09 9.25 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 121.71 0.767 . . . . 0.0 111.656 -171.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -88.21 149.19 24.0 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.768 2.027 . . . . 0.0 112.464 -177.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.1 t -77.71 136.39 63.32 Favored Pre-proline 0 CA--C 1.548 0.887 0 C-N-CA 124.758 1.223 . . . . 0.0 110.227 169.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -78.69 -9.45 15.86 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 123.884 3.056 . . . . 0.0 112.265 173.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -110.1 -28.96 8.42 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.345 1.058 . . . . 0.0 113.453 -172.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.6 p -142.24 -175.63 4.51 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.791 0.836 . . . . 0.0 113.076 177.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.2 p -74.04 0.03 14.96 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.288 1.435 . . . . 0.0 114.707 -178.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -61.22 145.53 50.88 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.044 1.338 . . . . 0.0 114.035 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.21 152.72 35.05 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.212 1.405 . . . . 0.0 111.344 169.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.5 t -143.43 149.63 37.89 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 173.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.51 -11.21 57.44 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.331 1.852 . . . . 0.0 115.111 167.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.9 mt -120.14 129.44 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.678 1.191 . . . . 0.0 109.638 -179.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -72.88 -30.51 64.01 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 121.204 -0.935 . . . . 0.0 112.395 -177.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.4 -35.11 76.6 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 121.102 -0.999 . . . . 0.0 112.162 169.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -70.77 -18.55 62.76 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.564 0.746 . . . . 0.0 112.985 173.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.0 tp -80.35 -41.8 24.1 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.165 -0.959 . . . . 0.0 111.321 167.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -65.34 -38.46 90.17 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.088 -1.007 . . . . 0.0 112.293 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.2 p -65.86 -32.07 56.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 123.634 0.774 . . . . 0.0 112.445 173.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -75.33 -35.47 61.2 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.84 0.856 . . . . 0.0 112.633 -173.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 72.6 mt -62.76 -21.47 65.87 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.65 0.78 . . . . 0.0 112.607 176.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -62.12 -35.7 79.55 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.523 1.129 . . . . 0.0 112.153 174.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.2 mttt -67.15 -26.84 66.86 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 125.109 1.363 . . . . 0.0 112.696 -178.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -77.14 2.15 16.14 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 173.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.8 p -95.04 178.01 5.69 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.787 1.235 . . . . 0.0 112.067 169.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.71 24.51 23.13 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 124.579 1.085 . . . . 0.0 114.398 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -137.14 145.47 43.84 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.131 1.773 . . . . 0.0 110.205 178.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -75.13 111.19 10.11 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.676 0.75 . . . . 0.0 112.315 -178.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -103.65 122.52 45.2 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.646 1.578 . . . . 0.0 109.48 169.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.13 147.28 23.17 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.705 1.202 . . . . 0.0 113.234 174.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.4 t -66.15 143.26 57.39 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 122.191 0.996 . . . . 0.0 111.866 171.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -81.82 -6.35 58.99 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.88 0.872 . . . . 0.0 112.075 175.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -121.26 -27.02 4.95 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.477 1.111 . . . . 0.0 113.619 -171.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.5 p -139.56 -178.82 5.57 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.138 0.975 . . . . 0.0 113.295 172.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.9 m -73.51 4.55 4.72 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.157 1.383 . . . . 0.0 113.997 177.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -61.5 148.4 42.12 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 124.522 1.129 . . . . 0.0 113.084 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.3 p -141.77 152.46 43.79 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 125.223 1.409 . . . . 0.0 112.211 173.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 10.1 t -149.17 156.58 42.38 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.301 1.041 . . . . 0.0 112.138 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 88.6 mt -88.64 -7.26 56.67 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.698 1.199 . . . . 0.0 113.815 174.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.8 t -117.78 128.25 54.69 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.616 1.167 . . . . 0.0 111.21 175.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -67.9 -32.85 73.62 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.614 1.165 . . . . 0.0 111.415 176.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.4 -42.97 80.43 Favored Glycine 0 CA--C 1.531 1.07 0 C-N-CA 124.551 1.072 . . . . 0.0 112.705 173.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -69.3 -33.23 72.86 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.454 1.127 . . . . 0.0 112.237 175.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 70.0 tp -64.98 -40.59 95.19 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.948 0.795 . . . . 0.0 112.169 170.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.6 tttt -57.62 -50.55 72.77 Favored 'General case' 0 C--N 1.341 0.231 0 O-C-N 121.516 -0.74 . . . . 0.0 109.763 171.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.7 t -58.6 -41.27 81.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 CA-C-N 119.104 0.865 . . . . 0.0 112.206 178.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -55.34 -46.65 76.38 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.499 0.72 . . . . 0.0 112.07 174.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 87.7 mt -71.57 -40.06 70.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 O-C-N 120.812 -1.18 . . . . 0.0 111.468 178.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -68.56 -12.91 61.92 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.568 1.547 . . . . 0.0 113.547 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.7 ptt180 -114.21 -42.92 3.27 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.936 1.294 . . . . 0.0 114.403 176.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 40.4 t -88.06 -45.94 15.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-N 118.433 0.56 . . . . 0.0 110.995 -173.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -104.97 19.55 20.39 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.22 1.408 . . . . 0.0 113.593 -175.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -74.19 153.23 39.58 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.203 1.401 . . . . 0.0 111.326 171.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 73.8 tttt 53.99 47.02 24.34 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.48 1.912 . . . . 0.0 112.893 -177.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 13.1 tt -109.85 150.36 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 126.162 1.785 . . . . 0.0 111.092 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -82.18 79.27 8.72 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.337 1.055 . . . . 0.0 111.628 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -66.16 166.02 12.6 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.527 1.531 . . . . 0.0 111.281 168.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 46.3 p-80 -141.63 149.46 40.71 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 172.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 44.9 t -78.74 127.94 32.75 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.924 1.69 . . . . 0.0 110.495 169.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.41 -15.81 59.16 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 176.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -87.93 -35.33 17.74 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.704 0.802 . . . . 0.0 113.148 -175.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 25.8 p -130.09 3.33 4.8 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 -178.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.2 mptt 61.0 18.28 8.76 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 126.411 1.884 . . . . 0.0 114.012 176.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -72.13 137.39 46.97 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.419 1.488 . . . . 0.0 110.841 173.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -88.83 145.16 25.74 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.81 0.844 . . . . 0.0 112.341 175.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -132.1 133.55 44.45 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.09 1.756 . . . . 0.0 110.555 -176.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.4 m -87.52 -4.98 58.98 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 -175.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -142.04 142.61 32.89 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 125.586 1.554 . . . . 0.0 108.757 169.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.9 p -59.95 -36.24 65.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 119.063 -0.494 . . . . 0.0 110.639 170.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -52.91 -45.17 67.46 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.022 0.929 . . . . 0.0 112.795 178.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -78.94 -23.72 44.44 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.63 -43.34 97.12 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 119.187 0.903 . . . . 0.0 111.345 169.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.3 mm -61.12 -47.73 92.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 CA-C-N 118.489 0.586 . . . . 0.0 110.271 176.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -57.86 -42.89 85.46 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.67 1.188 . . . . 0.0 112.001 177.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -60.77 -45.17 95.39 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 124.516 1.126 . . . . 0.0 112.906 172.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 58.6 mt -63.26 -42.63 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 O-C-N 121.331 -0.855 . . . . 0.0 110.799 176.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 77.3 mtp85 -64.63 -23.56 67.3 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 175.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -97.06 -41.9 8.14 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.526 1.131 . . . . 0.0 113.516 -178.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -106.04 -24.77 12.31 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.818 1.247 . . . . 0.0 114.168 -171.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -129.08 27.44 5.39 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.154 1.382 . . . . 0.0 113.321 -172.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -53.99 136.46 57.16 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 125.032 1.333 . . . . 0.0 113.756 -173.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -76.83 148.06 28.01 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 123.308 2.672 . . . . 0.0 113.67 -170.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -142.99 134.43 26.22 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.157 1.783 . . . . 0.0 109.491 172.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.5 t70 . . . . . 0 C--O 1.252 1.227 0 C-N-CA 125.897 1.679 . . . . 0.0 112.682 177.897 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.518 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.4 m -137.01 153.76 50.57 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.133 1.373 . . . . 0.0 112.279 -175.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.1 m -68.74 154.28 42.24 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.69 1.196 . . . . 0.0 112.908 178.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.3 -179.49 45.88 Favored Glycine 0 CA--C 1.536 1.376 0 C-N-CA 124.382 0.991 . . . . 0.0 113.751 179.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.5 m -66.89 153.47 43.41 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.837 1.255 . . . . 0.0 113.214 -178.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t -146.78 175.77 10.37 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.276 1.43 . . . . 0.0 112.047 -179.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.7 150.81 27.34 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.932 1.73 . . . . 0.0 113.692 -176.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -118.79 71.57 10.49 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 127.946 2.499 . . . . 0.0 112.011 -169.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.454 ' HD2' ' HA ' ' A' ' 20' ' ' ALA . 32.1 Cg_endo -65.63 -31.86 49.01 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 124.251 3.301 . . . . 0.0 115.577 -176.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -81.15 108.58 14.92 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.15 0.58 . . . . 0.0 110.779 -175.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -101.72 149.59 24.0 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.375 1.47 . . . . 0.0 112.615 -174.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.7 t -76.83 136.37 66.9 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 123.88 0.872 . . . . 0.0 110.51 170.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -77.65 -11.07 17.09 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 123.859 3.039 . . . . 0.0 112.461 174.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -112.69 -26.19 8.73 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -173.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.2 p -142.01 -176.83 4.94 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 176.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.3 p -73.25 0.7 11.13 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.307 1.443 . . . . 0.0 114.546 -178.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -60.56 144.83 50.71 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.02 1.328 . . . . 0.0 113.864 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.75 153.91 38.84 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.353 1.461 . . . . 0.0 111.584 172.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.5 t -148.72 152.36 36.5 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 170.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.454 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -62.03 -14.39 35.39 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 115.27 1.581 . . . . 0.0 115.27 168.206 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.1 mt -125.1 133.28 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.558 1.143 . . . . 0.0 111.075 -170.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -63.6 -39.57 94.72 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.229 1.012 . . . . 0.0 112.922 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.27 -34.41 75.13 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.911 0.884 . . . . 0.0 113.052 175.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -68.28 -37.9 81.16 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.494 -0.754 . . . . 0.0 111.572 173.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.2 tp -64.28 -45.98 85.66 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.158 -0.964 . . . . 0.0 111.625 170.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -54.97 -45.55 74.96 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.169 0.895 . . . . 0.0 111.913 177.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.32 -35.75 64.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 123.15 0.58 . . . . 0.0 112.239 -176.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -64.61 -41.24 96.33 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.224 1.009 . . . . 0.0 112.734 179.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.8 mt -59.86 -21.71 61.33 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.319 1.048 . . . . 0.0 113.214 -178.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -58.18 -28.46 64.79 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.834 1.254 . . . . 0.0 113.375 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -78.23 -16.29 57.97 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 177.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -90.71 14.34 13.71 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.775 1.63 . . . . 0.0 113.679 178.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.0 t -149.96 -177.67 6.04 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.778 2.031 . . . . 0.0 110.059 178.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.43 -146.68 21.82 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 124.188 0.899 . . . . 0.0 114.294 169.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -127.68 150.64 49.67 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.621 1.568 . . . . 0.0 112.508 -173.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -77.63 110.98 12.91 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.77 0.795 . . . . 0.0 111.495 176.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -98.98 121.06 40.44 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 125.341 1.457 . . . . 0.0 109.713 169.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -93.5 148.54 21.99 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.903 1.281 . . . . 0.0 113.178 176.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.9 t -66.77 142.43 57.38 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 122.133 0.968 . . . . 0.0 111.764 171.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -82.14 -5.9 58.79 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.844 0.858 . . . . 0.0 111.992 175.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -120.88 -26.93 5.11 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.58 1.152 . . . . 0.0 113.683 -170.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.1 p -139.34 -177.06 4.76 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.033 0.933 . . . . 0.0 113.275 171.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.6 p -74.51 3.68 7.24 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.491 1.516 . . . . 0.0 114.206 176.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -60.05 147.51 38.97 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 124.37 1.068 . . . . 0.0 113.023 178.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 38.2 p -142.19 151.15 41.9 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 125.422 1.489 . . . . 0.0 111.843 173.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.6 t -148.67 151.45 34.96 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.045 0.938 . . . . 0.0 111.689 174.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -82.13 -8.93 59.67 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.463 1.105 . . . . 0.0 112.883 173.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.3 m -118.89 111.26 18.16 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.557 1.543 . . . . 0.0 111.249 177.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.1 pttt -58.24 -33.11 68.99 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.938 1.295 . . . . 0.0 113.732 177.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.96 -36.9 92.67 Favored Glycine 0 CA--C 1.536 1.404 0 O-C-N 122.043 -0.411 . . . . 0.0 113.23 175.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -72.95 -35.35 66.95 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.464 1.132 . . . . 0.0 111.941 172.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 62.4 tp -61.26 -39.09 89.07 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 118.675 0.671 . . . . 0.0 112.243 172.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -59.52 -50.09 75.24 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 121.522 -0.736 . . . . 0.0 110.197 172.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 89.0 t -60.15 -39.0 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 118.516 0.598 . . . . 0.0 112.026 177.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 67.9 t60 -57.57 -44.58 85.42 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.813 0.845 . . . . 0.0 112.048 174.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.3 mt -72.36 -38.43 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 O-C-N 120.808 -1.183 . . . . 0.0 111.157 176.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -69.48 -12.66 61.84 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.961 1.304 . . . . 0.0 113.541 178.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.1 ptt180 -112.53 -42.23 3.7 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.953 1.301 . . . . 0.0 114.06 177.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.8 t -90.66 -46.89 14.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 122.81 0.444 . . . . 0.0 111.33 -174.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -107.64 18.36 21.51 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.109 1.364 . . . . 0.0 113.978 -171.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -60.83 112.39 2.02 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.732 1.613 . . . . 0.0 111.232 -177.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 66.2 mttm 45.44 47.15 10.88 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.844 2.058 . . . . 0.0 113.91 -172.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 20.1 tt -65.96 142.95 16.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 124.381 1.072 . . . . 0.0 111.758 176.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -86.24 95.5 9.63 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.184 0.994 . . . . 0.0 111.475 -175.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 18.7 mm100 -75.35 164.96 25.87 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.834 1.254 . . . . 0.0 109.985 169.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 37.9 p-80 -133.43 147.09 51.7 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 43.5 t -73.92 126.33 30.21 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.682 1.593 . . . . 0.0 109.439 169.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.96 -7.7 59.63 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 175.174 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -96.88 -34.78 11.13 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.179 0.992 . . . . 0.0 112.888 -178.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.274 17.4 p -131.74 11.16 4.77 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 116.273 1.953 . . . . 0.0 116.273 179.436 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm 57.01 19.73 4.87 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 126.976 2.11 . . . . 0.0 115.156 173.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.1 mttp -77.6 141.27 39.59 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 127.216 2.207 . . . . 0.0 111.404 176.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -98.02 143.17 28.86 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.347 1.059 . . . . 0.0 112.494 177.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -135.55 114.55 12.16 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.534 1.934 . . . . 0.0 110.596 -173.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.8 m -75.12 -7.68 54.45 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.841 1.257 . . . . 0.0 114.2 -178.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -133.72 120.36 20.47 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.687 1.595 . . . . 0.0 109.153 174.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.0 p -63.27 -35.88 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 O-C-N 121.778 -0.577 . . . . 0.0 112.35 -173.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -58.29 -34.37 70.47 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.145 0.884 . . . . 0.0 112.349 177.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -77.09 -29.12 54.8 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.181 0.592 . . . . 0.0 112.348 176.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.19 -43.4 98.92 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 118.836 0.744 . . . . 0.0 110.987 169.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 15.7 mm -61.29 -46.72 96.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 O-C-N 121.926 -0.484 . . . . 0.0 110.481 176.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -60.09 -44.44 94.82 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.077 0.551 . . . . 0.0 111.465 178.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -58.14 -42.42 85.81 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.584 1.154 . . . . 0.0 113.059 173.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 52.1 mt -64.56 -43.48 96.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 O-C-N 121.329 -0.857 . . . . 0.0 110.745 175.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -68.4 -22.81 64.61 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 115.11 1.522 . . . . 0.0 115.11 174.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -86.93 -45.23 11.01 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.301 1.041 . . . . 0.0 112.528 178.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.58 -25.55 11.3 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 -171.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -130.47 21.54 5.15 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 -169.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -57.66 128.11 79.36 Favored Pre-proline 0 CA--C 1.551 1.002 0 C-N-CA 124.372 1.069 . . . . 0.0 112.524 -169.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.97 145.14 49.4 Favored 'Trans proline' 0 CA--C 1.537 0.631 0 C-N-CA 123.131 2.554 . . . . 0.0 114.138 -169.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -140.83 129.78 23.23 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.562 1.945 . . . . 0.0 109.336 176.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 . . . . . 0 C--O 1.254 1.29 0 C-N-CA 125.071 1.348 . . . . 0.0 113.842 173.944 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.527 0 N-CA-C 111.772 -0.531 . . . . 0.0 111.772 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.2 m -68.32 150.45 48.2 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.514 1.126 . . . . 0.0 113.097 -179.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 t -76.58 158.33 31.24 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.194 0.997 . . . . 0.0 112.49 176.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.59 163.55 34.86 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 125.147 1.356 . . . . 0.0 113.098 178.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.1 p -76.25 141.25 41.78 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.482 1.113 . . . . 0.0 113.233 -178.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -155.84 155.64 33.31 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.475 1.51 . . . . 0.0 111.179 175.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.66 -69.66 1.36 Allowed Glycine 0 CA--C 1.534 1.266 0 C-N-CA 124.42 1.009 . . . . 0.0 112.825 -179.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.3 mttt 48.09 63.74 9.78 Favored Pre-proline 0 N--CA 1.481 1.107 0 C-N-CA 126.651 1.98 . . . . 0.0 112.856 176.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -60.66 -29.49 88.53 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 124.519 3.479 . . . . 0.0 114.543 -174.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -92.53 101.8 14.24 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.356 0.662 . . . . 0.0 111.233 -173.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -97.98 150.52 21.28 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.862 1.665 . . . . 0.0 111.785 -177.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.3 t -76.42 136.55 68.18 Favored Pre-proline 0 CA--C 1.548 0.869 0 C-N-CA 124.162 0.985 . . . . 0.0 110.213 169.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -77.57 -10.39 17.24 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 123.882 3.055 . . . . 0.0 112.426 175.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -113.98 -25.94 8.34 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -172.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.7 p -142.57 -178.61 5.85 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.588 0.959 . . . . 0.0 113.588 177.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.7 m -70.98 -0.31 9.07 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.358 1.463 . . . . 0.0 114.594 -176.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -61.28 143.43 55.68 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.021 1.328 . . . . 0.0 113.686 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.7 153.74 36.13 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.141 1.376 . . . . 0.0 111.109 169.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.1 t -145.61 161.59 39.46 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.132 0.973 . . . . 0.0 112.742 175.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.92 1.46 55.37 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.371 1.468 . . . . 0.0 113.403 171.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 57.9 mt -126.23 118.17 50.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 125.353 1.461 . . . . 0.0 108.998 178.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.0 pttt -69.19 -25.03 64.13 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -178.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.62 -30.7 71.72 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.152 0.581 . . . . 0.0 112.397 168.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -71.39 -39.03 71.44 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.951 0.9 . . . . 0.0 110.766 173.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.82 -46.21 91.42 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.298 -0.876 . . . . 0.0 111.862 169.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -55.24 -46.02 76.03 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.36 0.982 . . . . 0.0 111.773 175.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.29 -35.46 62.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 123.175 0.59 . . . . 0.0 112.466 -176.376 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -64.57 -41.85 96.03 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.64 1.176 . . . . 0.0 112.716 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.6 mt -58.85 -23.15 60.36 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.4 1.08 . . . . 0.0 113.361 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.3 mtp-105 -59.78 -22.94 62.84 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.127 1.371 . . . . 0.0 114.047 -178.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -77.4 -28.12 52.6 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 174.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -83.96 -22.1 31.56 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.599 1.159 . . . . 0.0 113.577 -176.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 49.2 p -68.53 -29.69 68.32 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 121.486 -0.758 . . . . 0.0 112.072 171.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.65 66.85 2.34 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 126.581 2.039 . . . . 0.0 112.359 175.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -63.2 137.31 58.17 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.374 1.47 . . . . 0.0 113.93 -171.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -91.92 110.5 21.86 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.297 1.039 . . . . 0.0 110.477 170.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -83.32 107.19 15.68 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 126.27 1.828 . . . . 0.0 108.914 175.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -95.86 145.12 25.62 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.761 1.225 . . . . 0.0 113.077 -175.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.4 t -68.44 139.57 55.75 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 122.131 0.967 . . . . 0.0 111.513 172.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -83.51 -6.43 59.45 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.714 0.806 . . . . 0.0 111.732 172.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -116.67 -26.53 6.97 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.099 1.36 . . . . 0.0 113.101 -170.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.5 p -141.06 -173.17 3.65 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.468 1.107 . . . . 0.0 112.826 169.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.8 p -76.69 3.93 10.6 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.597 1.559 . . . . 0.0 114.31 176.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -60.79 147.09 43.78 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.281 1.032 . . . . 0.0 113.368 -179.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.2 p -144.35 150.42 37.75 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.491 1.516 . . . . 0.0 112.413 173.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 10.3 t -143.83 157.9 44.06 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.404 1.082 . . . . 0.0 111.824 172.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -83.26 -0.84 51.37 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.669 1.188 . . . . 0.0 113.287 176.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 64.4 m -133.4 129.67 37.66 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.203 1.401 . . . . 0.0 112.134 178.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -60.18 -36.49 77.73 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.238 1.415 . . . . 0.0 114.125 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.4 -34.42 79.66 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 123.176 0.417 . . . . 0.0 112.848 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 53.7 m170 -71.65 -33.72 69.15 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.248 -1.148 . . . . 0.0 112.125 172.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 54.6 tp -61.54 -43.49 98.76 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 118.797 0.726 . . . . 0.0 111.52 169.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.3 tttp -57.35 -52.25 66.1 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 118.548 -0.739 . . . . 0.0 110.11 173.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.7 t -58.27 -40.05 76.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 CA-C-N 119.146 0.885 . . . . 0.0 112.213 178.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -58.22 -46.09 86.5 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.291 0.637 . . . . 0.0 112.446 174.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 80.0 mt -70.77 -38.04 71.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 O-C-N 120.795 -1.19 . . . . 0.0 111.052 177.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -69.75 -11.61 60.99 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.53 1.532 . . . . 0.0 113.639 179.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.4 ptt180 -114.07 -41.47 3.52 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.917 1.287 . . . . 0.0 113.722 177.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.9 t -91.23 -47.81 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 122.952 0.501 . . . . 0.0 111.341 -174.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -106.1 17.62 23.27 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.0 1.32 . . . . 0.0 113.949 -172.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -61.6 135.79 57.77 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.198 1.799 . . . . 0.0 111.358 178.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 73.6 tttt 54.81 47.64 21.9 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.782 2.033 . . . . 0.0 113.544 178.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.7 tt -104.64 156.66 5.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 125.501 1.52 . . . . 0.0 110.795 170.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -143.16 124.18 14.4 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.094 1.358 . . . . 0.0 110.428 174.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -73.74 130.06 39.2 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 172.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 36.2 p-80 -140.22 141.94 35.87 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -171.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 43.1 t -67.24 140.13 57.38 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.908 1.283 . . . . 0.0 112.497 178.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.97 -22.97 52.39 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.84 1.656 . . . . 0.0 113.039 176.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -108.42 -33.13 7.17 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -167.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 22.4 p -127.55 3.45 6.19 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp 57.98 17.81 4.65 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.628 1.971 . . . . 0.0 115.046 178.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -67.56 137.66 55.88 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.466 1.506 . . . . 0.0 110.878 175.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -90.48 144.73 25.5 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.148 0.979 . . . . 0.0 111.532 176.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -130.88 131.86 44.79 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.122 1.369 . . . . 0.0 112.478 -173.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.3 m -76.11 -21.25 56.87 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.441 1.096 . . . . 0.0 113.803 -177.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -136.88 131.04 32.61 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.992 1.717 . . . . 0.0 109.681 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.81 -36.78 78.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 121.74 -0.6 . . . . 0.0 112.516 -174.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -61.18 -33.52 73.57 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 121.199 -0.938 . . . . 0.0 112.254 178.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -76.34 -26.25 55.56 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 174.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.2 tp -64.92 -42.52 94.64 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 119.286 0.948 . . . . 0.0 110.938 169.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 16.0 mm -61.9 -48.44 88.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 O-C-N 121.906 -0.497 . . . . 0.0 110.155 175.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -57.19 -43.03 82.3 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.456 1.102 . . . . 0.0 111.952 177.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -59.59 -44.29 93.4 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.54 1.136 . . . . 0.0 112.844 172.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 59.5 mt -63.12 -44.8 99.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 O-C-N 121.311 -0.868 . . . . 0.0 110.848 175.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -65.48 -25.07 67.32 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 177.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -93.64 -42.04 9.4 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.577 1.151 . . . . 0.0 113.696 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -104.89 -24.46 12.86 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 -171.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -129.56 24.59 5.43 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.011 1.324 . . . . 0.0 113.451 -171.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -51.85 136.78 35.89 Favored Pre-proline 0 CA--C 1.553 1.079 0 C-N-CA 125.363 1.465 . . . . 0.0 114.438 -175.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -77.83 155.45 30.67 Favored 'Trans proline' 0 CA--C 1.538 0.719 0 C-N-CA 123.728 2.952 . . . . 0.0 113.194 -176.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -138.97 133.83 32.29 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.088 1.755 . . . . 0.0 110.007 174.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.5 t70 . . . . . 0 C--O 1.251 1.176 0 C-N-CA 125.35 1.46 . . . . 0.0 113.456 176.411 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.509 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.8 m -135.0 164.73 26.97 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.41 1.484 . . . . 0.0 112.258 -175.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.1 m -56.54 122.33 11.74 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.784 0.834 . . . . 0.0 111.831 178.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.69 9.28 78.55 Favored Glycine 0 CA--C 1.539 1.543 0 N-CA-C 115.922 1.129 . . . . 0.0 115.922 -178.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.8 p -75.51 -9.88 58.96 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 119.432 1.616 . . . . 0.0 114.969 -178.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.5 p -136.75 152.4 50.29 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.647 1.579 . . . . 0.0 112.635 178.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.57 -153.89 30.5 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.209 1.385 . . . . 0.0 113.985 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 52.65 61.89 10.97 Favored Pre-proline 0 N--CA 1.481 1.108 0 C-N-CA 126.65 1.98 . . . . 0.0 113.841 177.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -62.14 -30.94 82.87 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 124.389 3.393 . . . . 0.0 115.494 -177.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -84.75 102.99 13.45 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.332 0.653 . . . . 0.0 111.257 -175.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -98.91 150.08 22.28 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.746 1.618 . . . . 0.0 112.461 -177.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.1 t -77.26 136.36 65.25 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 124.493 1.117 . . . . 0.0 110.419 170.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -78.16 -10.33 16.44 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 123.838 3.025 . . . . 0.0 112.319 174.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -113.21 -25.83 8.7 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -172.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.9 p -142.88 -177.84 5.52 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 175.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.8 m -71.61 0.75 7.88 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.242 1.417 . . . . 0.0 114.435 -177.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -62.07 144.39 55.32 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.953 1.301 . . . . 0.0 114.014 -179.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.38 153.68 38.9 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.841 1.256 . . . . 0.0 111.751 169.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.8 t -146.39 168.77 20.31 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.688 1.195 . . . . 0.0 112.362 173.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.32 0.44 56.81 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.368 1.467 . . . . 0.0 114.451 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 45.3 mt -135.19 136.76 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.278 1.431 . . . . 0.0 110.225 -171.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -61.47 -43.08 99.5 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.62 1.168 . . . . 0.0 112.486 176.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.73 -34.54 74.56 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.859 0.864 . . . . 0.0 113.041 175.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 -71.05 -19.84 62.44 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 175.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.9 tp -82.19 -40.45 21.71 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.412 -0.805 . . . . 0.0 111.074 167.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -62.71 -42.81 99.84 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 120.924 -1.11 . . . . 0.0 112.084 178.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.2 p -62.79 -31.06 50.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 175.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -77.9 -40.56 39.42 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.813 0.845 . . . . 0.0 111.924 -175.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.1 mt -61.71 -21.48 64.52 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.207 1.003 . . . . 0.0 112.937 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.7 mtp-105 -48.81 -38.94 23.58 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.721 1.608 . . . . 0.0 113.335 175.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -74.41 -21.03 59.83 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 114.325 1.232 . . . . 0.0 114.325 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -93.03 5.02 52.96 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.45 1.9 . . . . 0.0 113.978 -178.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 59.4 p -74.21 160.29 31.36 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 -174.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -173.23 -170.45 36.85 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 124.815 1.197 . . . . 0.0 112.589 -172.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -69.03 143.73 54.23 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.438 0.695 . . . . 0.0 112.373 177.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -78.13 111.4 14.02 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.505 0.669 . . . . 0.0 111.217 175.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -100.57 118.78 37.43 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 124.814 1.246 . . . . 0.0 109.76 170.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.41 146.12 26.01 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.072 0.949 . . . . 0.0 111.944 171.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.5 t -64.17 142.71 58.32 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 122.239 1.018 . . . . 0.0 111.489 171.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -80.55 -4.95 55.92 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.68 0.792 . . . . 0.0 112.089 176.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -123.72 -26.62 4.11 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.581 1.152 . . . . 0.0 113.814 -170.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.9 p -139.1 -177.26 4.82 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.346 1.059 . . . . 0.0 113.344 171.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.5 p -75.04 3.6 8.15 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.608 1.563 . . . . 0.0 114.335 176.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -60.31 149.06 34.69 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.326 1.05 . . . . 0.0 113.007 178.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.7 p -141.6 151.43 43.13 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.172 1.389 . . . . 0.0 112.168 175.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.2 t -149.54 154.44 38.74 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.223 1.009 . . . . 0.0 112.515 -179.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 45.9 mt -87.94 -3.17 58.94 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.162 1.385 . . . . 0.0 113.318 175.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t -127.65 129.79 47.81 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.681 1.592 . . . . 0.0 111.507 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.1 tptt -69.49 -33.81 73.41 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.204 1.402 . . . . 0.0 111.933 177.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.17 -42.53 75.71 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 124.327 0.965 . . . . 0.0 112.696 174.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 54.8 m170 -69.33 -32.9 72.31 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.429 -1.042 . . . . 0.0 112.155 175.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 63.1 tp -66.42 -39.11 88.77 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.419 -0.801 . . . . 0.0 112.425 171.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.8 tttt -58.36 -47.36 84.03 Favored 'General case' 0 N--CA 1.464 0.267 0 O-C-N 121.367 -0.833 . . . . 0.0 110.213 171.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.6 t -60.79 -41.34 88.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-N 118.676 0.671 . . . . 0.0 111.903 176.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -55.63 -45.68 77.55 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.648 0.658 . . . . 0.0 112.108 174.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.5 mt -71.7 -40.27 70.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 O-C-N 120.698 -1.251 . . . . 0.0 111.488 178.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -68.0 -14.2 62.78 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.448 1.499 . . . . 0.0 113.814 179.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.5 ptt180 -111.97 -40.79 4.14 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 177.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.1 t -91.03 -47.34 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-N 118.3 0.5 . . . . 0.0 111.406 -174.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -102.42 17.71 22.89 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.124 1.37 . . . . 0.0 113.998 -174.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? -71.36 140.67 50.28 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.512 1.525 . . . . 0.0 110.828 173.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 47.7 tttm 52.0 48.06 23.52 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.54 1.936 . . . . 0.0 113.352 -173.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 18.2 tt -72.24 149.92 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.688 1.195 . . . . 0.0 111.562 174.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -69.2 134.99 49.94 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.749 0.82 . . . . 0.0 111.181 174.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -109.14 167.05 10.38 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.538 1.935 . . . . 0.0 110.539 178.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 -131.86 151.43 51.69 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 174.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 53.7 t -71.99 132.06 43.78 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.81 1.644 . . . . 0.0 112.506 176.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.7 -2.58 47.39 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 177.228 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -110.04 -35.3 6.16 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.484 1.113 . . . . 0.0 113.442 -179.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.2 p -130.56 2.04 4.53 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 115.454 1.649 . . . . 0.0 115.454 -178.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt 55.73 23.14 6.01 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 126.163 1.785 . . . . 0.0 115.023 178.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -69.83 141.64 53.23 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.581 1.552 . . . . 0.0 111.002 169.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.81 142.75 27.4 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.321 1.048 . . . . 0.0 111.765 177.336 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -134.13 124.05 25.44 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.193 1.797 . . . . 0.0 111.327 -179.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.9 m -83.84 -6.11 59.35 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 -177.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -133.52 122.06 23.06 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 126.446 1.898 . . . . 0.0 108.73 172.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.9 p -62.18 -36.38 74.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 O-C-N 121.88 -0.513 . . . . 0.0 111.669 -177.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -59.36 -33.81 71.62 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 121.333 -0.855 . . . . 0.0 112.39 176.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -77.95 -26.88 49.12 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 174.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.1 tp -63.27 -42.7 99.14 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 119.368 0.986 . . . . 0.0 110.703 168.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.4 mm -61.69 -47.88 91.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 O-C-N 121.816 -0.552 . . . . 0.0 110.322 175.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -57.93 -40.05 79.51 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.486 1.114 . . . . 0.0 112.31 177.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -62.96 -44.31 96.4 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.796 1.238 . . . . 0.0 112.619 172.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 64.0 mt -63.88 -43.36 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 CA-C-N 119.264 0.938 . . . . 0.0 110.839 175.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 77.0 mtp85 -64.17 -22.73 67.05 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.984 1.314 . . . . 0.0 114.44 176.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -91.15 -57.31 2.84 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.182 0.993 . . . . 0.0 113.159 174.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -90.58 -26.96 19.42 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 -164.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -130.62 27.56 4.97 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.77 1.628 . . . . 0.0 112.707 -171.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -53.12 132.12 50.7 Favored Pre-proline 0 CA--C 1.551 1.019 0 C-N-CA 125.372 1.469 . . . . 0.0 114.811 -169.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.15 143.76 25.9 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 123.402 2.735 . . . . 0.0 111.676 176.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -139.03 127.75 23.34 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.654 1.182 . . . . 0.0 110.509 177.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 . . . . . 0 C--O 1.252 1.214 0 C-N-CA 126.426 1.89 . . . . 0.0 113.341 179.409 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.62 0 N-CA-C 111.863 -0.495 . . . . 0.0 111.863 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 t -148.25 156.94 43.16 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.065 1.346 . . . . 0.0 111.769 178.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.9 t -151.69 161.78 42.09 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.655 1.582 . . . . 0.0 111.655 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.62 174.5 45.11 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.752 1.168 . . . . 0.0 113.808 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t -76.44 161.21 28.85 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.566 1.146 . . . . 0.0 112.864 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.5 p -143.41 163.06 34.13 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.976 1.71 . . . . 0.0 112.738 -178.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.98 -162.21 27.5 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 124.664 1.126 . . . . 0.0 113.051 -178.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.5 mttt 48.56 62.67 11.7 Favored Pre-proline 0 N--CA 1.479 1.025 0 C-N-CA 125.985 1.714 . . . . 0.0 112.799 179.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -63.32 -28.39 72.04 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 124.162 3.242 . . . . 0.0 115.343 -173.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -83.17 95.92 8.26 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.19 0.596 . . . . 0.0 111.139 -176.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -91.11 148.76 22.15 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.942 1.697 . . . . 0.0 111.86 -179.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.2 t -75.77 134.48 72.11 Favored Pre-proline 0 CA--C 1.548 0.891 0 C-N-CA 124.313 1.045 . . . . 0.0 110.286 170.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -77.75 -6.82 16.33 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 123.816 3.011 . . . . 0.0 112.319 173.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -113.82 -29.09 7.19 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.837 1.255 . . . . 0.0 113.237 -170.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.6 p -144.56 -174.97 4.47 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 123.931 0.893 . . . . 0.0 113.294 176.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.9 m -73.26 0.28 12.37 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.237 1.415 . . . . 0.0 114.687 -177.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -62.07 147.04 48.62 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.102 1.361 . . . . 0.0 113.968 -178.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.21 153.31 37.43 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.826 1.25 . . . . 0.0 112.042 169.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.3 t -145.3 166.81 24.47 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.846 1.258 . . . . 0.0 112.478 172.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.24 -1.72 57.73 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.167 1.387 . . . . 0.0 114.477 176.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 56.8 mt -134.17 135.1 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 125.129 1.372 . . . . 0.0 110.303 -170.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -63.62 -39.46 94.41 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.028 0.931 . . . . 0.0 112.761 177.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.14 -36.02 76.58 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.638 0.775 . . . . 0.0 113.028 173.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -70.96 -26.71 63.29 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.497 -0.752 . . . . 0.0 112.332 175.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.3 tp -75.23 -44.43 46.17 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.135 0.88 . . . . 0.0 111.272 169.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -54.64 -46.11 73.88 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.103 0.865 . . . . 0.0 111.61 176.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.71 -34.98 67.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 123.339 0.655 . . . . 0.0 112.244 -176.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -66.2 -41.45 90.16 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.634 1.174 . . . . 0.0 112.748 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.0 mt -60.31 -22.98 63.82 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.975 0.91 . . . . 0.0 112.85 -178.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -56.85 -33.09 66.45 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.933 1.293 . . . . 0.0 112.889 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -72.97 -21.42 60.86 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -179.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -85.39 1.52 48.25 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.501 1.52 . . . . 0.0 113.609 178.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 44.3 p -80.31 166.14 21.62 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.369 1.067 . . . . 0.0 112.385 175.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.9 -145.04 23.25 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 123.979 0.8 . . . . 0.0 113.958 179.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -55.6 132.15 48.08 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.792 1.637 . . . . 0.0 115.137 -170.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -134.78 119.76 18.58 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 127.489 2.316 . . . . 0.0 111.097 174.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -95.81 107.82 20.1 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 126.334 1.854 . . . . 0.0 109.311 174.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -93.86 144.95 24.98 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.716 1.207 . . . . 0.0 112.823 -176.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.9 t -69.32 140.23 54.32 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 122.147 0.975 . . . . 0.0 111.685 172.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -83.75 -4.56 58.73 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.865 0.866 . . . . 0.0 111.876 173.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -120.25 -26.66 5.42 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.89 1.276 . . . . 0.0 113.447 -170.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.7 p -139.94 -175.51 4.25 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.227 1.011 . . . . 0.0 113.028 170.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.2 p -75.1 3.94 7.68 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.471 1.509 . . . . 0.0 114.34 176.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -59.58 144.88 46.35 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.426 1.09 . . . . 0.0 113.167 179.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.8 p -143.22 151.95 41.18 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 125.81 1.644 . . . . 0.0 111.588 171.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.1 t -147.99 156.61 42.84 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.974 0.91 . . . . 0.0 112.257 175.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 47.1 mt -78.92 -3.09 43.11 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 124.476 1.111 . . . . 0.0 112.858 172.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.0 t -123.23 125.65 45.49 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.772 1.629 . . . . 0.0 112.444 178.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.9 pttp -63.7 -34.39 77.76 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.404 1.482 . . . . 0.0 112.318 170.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -67.55 -40.54 90.83 Favored Glycine 0 CA--C 1.53 1.025 0 C-N-CA 123.836 0.731 . . . . 0.0 112.268 176.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -71.16 -34.6 71.12 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.444 -1.033 . . . . 0.0 112.371 174.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.9 tp -58.53 -43.58 89.25 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.296 0.953 . . . . 0.0 111.68 170.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -59.17 -50.86 72.41 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.852 -0.53 . . . . 0.0 110.616 175.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.0 t -60.5 -38.85 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-N 118.283 0.492 . . . . 0.0 111.99 178.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -58.12 -45.55 87.1 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.963 0.905 . . . . 0.0 112.194 175.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 80.2 mt -71.53 -39.26 70.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 O-C-N 120.745 -1.222 . . . . 0.0 110.999 177.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -68.37 -14.07 62.73 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.89 1.276 . . . . 0.0 113.782 179.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.1 ptt180 -110.75 -41.77 4.2 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.799 1.24 . . . . 0.0 114.011 177.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.4 t -91.38 -47.69 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-N 118.362 0.528 . . . . 0.0 111.386 -173.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -106.57 17.58 23.1 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.926 1.291 . . . . 0.0 114.082 -172.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -60.74 117.24 5.13 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.845 1.658 . . . . 0.0 111.115 -178.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 41.1 tttp 48.13 48.07 18.71 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.98 2.112 . . . . 0.0 113.417 -177.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 20.1 tt -64.33 139.18 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.412 1.085 . . . . 0.0 111.229 178.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -69.23 -44.27 72.37 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.34 1.056 . . . . 0.0 113.837 -169.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 60.53 155.19 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 116.719 2.118 . . . . 0.0 116.719 176.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 -139.92 151.93 45.98 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.145 0.978 . . . . 0.0 111.971 168.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.9 t -66.77 129.68 40.67 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.381 1.873 . . . . 0.0 112.206 -178.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -20.49 61.74 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 174.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -87.47 -43.31 12.15 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -177.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.4 p -125.77 4.26 7.42 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 -174.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . 0.253 13.2 mptt 61.53 15.36 6.67 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 126.961 2.104 . . . . 0.0 114.943 174.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -73.84 125.08 27.36 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.937 1.695 . . . . 0.0 111.893 173.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 49.5 tttm -74.16 141.67 45.53 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 126.803 2.041 . . . . 0.0 110.536 173.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -121.3 -1.85 9.64 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 116.972 2.212 . . . . 0.0 116.972 -172.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 44.5 m 58.38 -7.61 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 127.269 2.228 . . . . 0.0 116.361 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -154.92 132.62 11.37 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 128.587 2.755 . . . . 0.0 107.351 168.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 11.4 p -52.82 -36.75 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 O-C-N 121.627 -0.671 . . . . 0.0 111.569 169.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -60.59 -32.96 72.05 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.353 0.979 . . . . 0.0 112.672 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 56.7 m-20 -73.37 -37.36 66.06 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 118.225 0.466 . . . . 0.0 111.85 173.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 63.7 tp -61.94 -38.58 88.98 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.6 0.76 . . . . 0.0 112.114 178.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 19.9 mm -58.88 -47.78 88.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 CA-C-N 118.48 0.582 . . . . 0.0 110.245 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 25.4 ttmm -62.96 -40.52 97.93 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.677 0.791 . . . . 0.0 112.108 177.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -58.4 -45.98 87.31 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 118.674 0.67 . . . . 0.0 112.51 171.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 58.3 mt -61.25 -46.56 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-N 118.812 0.733 . . . . 0.0 110.537 175.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 70.0 mtt-85 -64.69 -26.69 68.48 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 178.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -93.64 -38.26 11.43 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -105.5 -24.79 12.54 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.876 1.27 . . . . 0.0 114.363 -173.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -130.82 26.86 4.96 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 125.937 1.695 . . . . 0.0 112.433 -175.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -25.14 107.59 0.18 Allowed Pre-proline 0 CA--C 1.553 1.093 0 C-N-CA 128.588 2.755 . . . . 0.0 116.962 -168.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -62.89 159.52 37.6 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 124.515 3.477 . . . . 0.0 114.067 173.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -81.08 -3.27 51.36 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.283 1.433 . . . . 0.0 113.734 176.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 32.5 t70 . . . . . 0 C--O 1.253 1.258 0 C-N-CA 126.823 2.049 . . . . 0.0 112.778 -177.921 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.546 0 N-CA-C 112.028 -0.429 . . . . 0.0 112.028 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.9 m -67.47 148.42 51.55 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.502 1.121 . . . . 0.0 113.028 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.6 m -69.09 145.25 53.57 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.416 1.086 . . . . 0.0 113.027 -179.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.89 153.4 10.05 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.787 1.184 . . . . 0.0 113.165 176.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 t -157.13 162.04 39.39 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.184 1.393 . . . . 0.0 111.676 178.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.9 p -153.29 167.66 28.62 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.582 1.553 . . . . 0.0 112.364 -178.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.18 -96.14 1.33 Allowed Glycine 0 CA--C 1.532 1.128 0 C-N-CA 124.166 0.889 . . . . 0.0 113.953 174.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.6 mttp 47.95 62.01 12.78 Favored Pre-proline 0 N--CA 1.477 0.924 0 C-N-CA 125.81 1.644 . . . . 0.0 112.542 -169.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.91 -30.89 92.85 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 125.029 3.819 . . . . 0.0 115.509 -173.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -84.03 100.98 11.43 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 124.229 1.011 . . . . 0.0 109.464 -178.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -116.6 144.75 44.0 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.211 1.404 . . . . 0.0 111.937 -167.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.9 t -75.96 132.22 74.61 Favored Pre-proline 0 CA--C 1.547 0.865 0 C-N-CA 123.689 0.796 . . . . 0.0 110.351 -177.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -76.79 -6.23 16.66 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 123.786 2.991 . . . . 0.0 112.175 172.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -115.57 -28.12 6.9 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.831 1.253 . . . . 0.0 113.25 -170.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.8 p -143.88 -172.68 3.8 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.701 0.801 . . . . 0.0 113.144 174.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.9 p -75.43 -0.54 20.38 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.373 1.469 . . . . 0.0 114.548 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -61.41 146.38 48.51 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.962 1.305 . . . . 0.0 114.081 -179.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.89 157.21 42.95 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.9 1.28 . . . . 0.0 112.334 172.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.5 t -146.34 158.19 43.86 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.8 1.64 . . . . 0.0 112.285 174.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.49 -2.39 53.23 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.689 1.196 . . . . 0.0 113.868 168.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 52.7 mt -127.67 132.83 68.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.897 1.279 . . . . 0.0 110.707 -173.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.0 tttm -58.14 -47.55 82.97 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.945 1.298 . . . . 0.0 112.922 178.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.21 -31.77 72.34 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 178.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -74.43 -16.89 60.86 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.542 0.737 . . . . 0.0 112.983 176.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 67.1 tp -83.14 -39.42 21.09 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.265 -0.897 . . . . 0.0 111.094 166.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -66.93 -38.2 85.74 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 120.991 -1.068 . . . . 0.0 112.231 -178.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.8 p -65.5 -30.53 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 123.718 0.807 . . . . 0.0 112.649 173.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -76.88 -37.97 54.51 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.94 0.896 . . . . 0.0 112.619 -172.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.9 mt -61.43 -20.71 63.41 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.574 0.75 . . . . 0.0 112.633 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.3 -23.45 64.19 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.732 1.613 . . . . 0.0 113.683 176.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.4 mttm -73.96 -36.27 64.58 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.381 1.472 . . . . 0.0 112.175 176.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -81.42 -0.22 40.51 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -174.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 58.4 p -75.46 169.77 17.43 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.586 1.154 . . . . 0.0 113.651 -177.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.94 -172.12 55.22 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.42 1.01 . . . . 0.0 113.291 -176.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -80.97 92.18 6.14 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 122.192 0.996 . . . . 0.0 111.649 179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -111.22 118.1 35.0 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.348 1.459 . . . . 0.0 111.428 176.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -99.06 106.02 18.21 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.013 2.125 . . . . 0.0 108.476 -177.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.04 145.67 24.49 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.629 1.171 . . . . 0.0 113.845 -174.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.0 t -67.66 141.9 56.56 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 122.155 0.978 . . . . 0.0 112.091 171.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -85.14 -6.41 59.29 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.95 0.9 . . . . 0.0 111.873 173.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -117.95 -27.02 6.27 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.05 1.34 . . . . 0.0 113.319 -172.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.0 p -140.26 -176.67 4.7 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.838 0.855 . . . . 0.0 113.136 171.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.7 m -74.69 5.03 5.3 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.158 1.383 . . . . 0.0 114.013 177.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -62.44 148.07 46.69 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.591 1.156 . . . . 0.0 113.198 -178.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.7 p -142.74 149.43 38.74 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 125.436 1.495 . . . . 0.0 111.912 172.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 5.0 t -141.54 168.8 18.9 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.418 1.087 . . . . 0.0 112.004 174.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -91.95 7.59 41.42 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.962 1.305 . . . . 0.0 114.305 179.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 34.9 t -146.07 137.82 24.98 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.935 1.294 . . . . 0.0 112.39 175.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -58.49 -32.82 69.15 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.615 1.566 . . . . 0.0 112.837 168.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.17 -42.78 74.69 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 123.511 0.576 . . . . 0.0 112.367 176.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 55.4 m170 -69.47 -34.57 74.57 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 121.616 -0.932 . . . . 0.0 112.161 173.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.0 tp -61.5 -43.32 99.07 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.342 0.657 . . . . 0.0 111.992 170.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.3 tttp -58.23 -50.28 74.11 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 118.423 -0.799 . . . . 0.0 109.951 173.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.8 t -58.15 -41.17 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 119.116 0.871 . . . . 0.0 112.129 178.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -57.2 -47.29 81.65 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.386 0.674 . . . . 0.0 112.477 174.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 93.6 mt -70.3 -39.56 76.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 O-C-N 120.907 -1.12 . . . . 0.0 111.129 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -67.88 -13.73 62.39 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.125 1.77 . . . . 0.0 113.768 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -114.09 -39.48 3.91 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.693 1.197 . . . . 0.0 114.039 178.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 38.3 t -91.32 -46.65 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 122.826 0.45 . . . . 0.0 111.26 -175.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -108.38 18.34 21.11 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 -171.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.5 119.48 13.82 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.14 1.376 . . . . 0.0 110.557 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.7 tptt 49.58 46.65 23.47 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 126.492 1.917 . . . . 0.0 113.305 -173.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 16.1 tt -75.33 156.62 6.05 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 125.145 1.378 . . . . 0.0 111.798 176.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -79.03 151.86 31.25 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.932 1.293 . . . . 0.0 111.762 172.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -127.72 162.66 26.07 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 127.046 2.138 . . . . 0.0 109.541 174.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 27.3 p-80 -140.23 151.77 45.43 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 168.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.1 t -73.64 130.19 39.52 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.889 1.675 . . . . 0.0 112.539 179.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.34 -5.87 53.46 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 178.118 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -101.62 -39.07 7.65 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.481 1.112 . . . . 0.0 113.255 177.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.6 p -130.28 3.8 4.74 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 115.651 1.722 . . . . 0.0 115.651 -173.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt 59.31 13.74 3.29 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 126.595 1.958 . . . . 0.0 115.131 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -65.58 135.9 55.67 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.968 1.307 . . . . 0.0 110.646 174.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -87.83 142.92 27.43 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.82 0.848 . . . . 0.0 112.69 178.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -134.69 126.63 29.45 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.876 1.67 . . . . 0.0 110.9 -175.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 48.6 m -83.71 -9.61 58.73 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -177.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -137.58 128.1 26.65 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 125.648 1.579 . . . . 0.0 109.637 173.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.7 p -63.4 -35.6 72.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 N-CA-C 112.397 0.518 . . . . 0.0 112.397 -175.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -57.32 -38.43 74.04 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 119.197 0.908 . . . . 0.0 112.499 178.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -76.52 -25.07 53.79 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.47 0.708 . . . . 0.0 112.399 176.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.4 tp -66.3 -43.22 86.9 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 119.166 0.893 . . . . 0.0 111.324 169.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 15.7 mm -60.12 -46.86 93.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-N 118.44 0.564 . . . . 0.0 110.257 176.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.0 tppt? -58.35 -46.45 86.25 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.296 1.439 . . . . 0.0 111.433 175.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 55.7 t60 -59.11 -43.63 91.91 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.358 0.663 . . . . 0.0 112.304 174.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 58.2 mt -59.41 -52.54 59.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-O 118.744 -0.645 . . . . 0.0 110.164 174.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -60.73 -33.38 72.83 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 179.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -86.76 -37.46 17.84 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -177.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -102.94 -30.8 10.58 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -172.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -119.75 -53.27 2.2 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 115.925 1.824 . . . . 0.0 115.925 -169.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 38.4 t70 46.23 113.18 0.0 OUTLIER Pre-proline 0 CA--C 1.556 1.209 1 C-N-CA 133.366 4.667 . . . . 0.0 115.738 -175.319 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -71.45 172.56 13.96 Favored 'Trans proline' 0 CA--C 1.543 0.96 0 C-N-CA 124.366 3.377 . . . . 0.0 113.829 -176.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 59.26 35.82 23.5 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.828 1.651 . . . . 0.0 113.728 -178.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 . . . . . 0 C--O 1.254 1.291 0 C-N-CA 126.088 1.755 . . . . 0.0 114.172 175.192 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.9 mttt . . . . . 0 N--CA 1.48 1.066 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -62.78 -32.73 77.8 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 124.351 3.367 . . . . 0.0 115.365 -177.009 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -82.24 103.05 11.55 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.579 0.752 . . . . 0.0 110.335 -175.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -115.68 146.62 41.69 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.692 1.597 . . . . 0.0 112.666 -169.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.5 t -77.07 136.03 66.29 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 124.137 0.975 . . . . 0.0 110.987 -178.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -77.05 -10.59 17.97 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 123.848 3.032 . . . . 0.0 112.375 174.215 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -112.63 -27.36 8.22 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 -173.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.7 p -143.49 -177.74 5.54 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.8 m -71.94 1.14 7.64 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.32 1.448 . . . . 0.0 114.414 -177.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -61.9 143.35 56.55 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.962 1.305 . . . . 0.0 113.871 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.83 152.14 35.99 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.092 1.357 . . . . 0.0 112.025 172.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.7 t -147.46 166.42 27.29 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.019 1.328 . . . . 0.0 112.333 173.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.2 0.51 56.69 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.069 1.347 . . . . 0.0 114.058 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 61.9 mt -132.1 134.48 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.365 1.466 . . . . 0.0 110.201 -172.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -62.74 -41.23 99.09 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.997 0.919 . . . . 0.0 112.924 178.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.32 -34.47 73.84 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.995 0.918 . . . . 0.0 113.07 175.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -68.9 -38.44 79.6 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.583 -0.698 . . . . 0.0 111.561 175.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.2 tp -65.32 -45.03 85.93 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.176 -0.952 . . . . 0.0 111.623 170.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -55.16 -47.52 75.04 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.204 0.911 . . . . 0.0 111.535 176.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.84 -35.1 71.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 123.186 0.594 . . . . 0.0 112.241 -176.102 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -66.14 -40.6 90.74 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.169 0.988 . . . . 0.0 112.743 177.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.5 mt -62.62 -24.77 67.76 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.019 0.928 . . . . 0.0 112.668 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 . . . . . 0 N--CA 1.482 1.126 0 C-N-CA 125.023 1.329 . . . . 0.0 114.325 176.696 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.552 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.2 t -67.23 142.63 56.87 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 122.115 0.96 . . . . 0.0 111.792 170.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -81.53 -5.59 58.14 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.891 0.876 . . . . 0.0 112.068 175.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -122.66 -26.94 4.43 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.359 1.063 . . . . 0.0 113.808 -170.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.2 p -138.73 -178.34 5.27 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.045 0.938 . . . . 0.0 113.273 172.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.0 m -73.43 4.56 4.61 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.297 1.439 . . . . 0.0 114.068 176.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -61.1 146.41 47.5 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 123.966 0.906 . . . . 0.0 112.784 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.3 p -139.78 152.04 46.26 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 125.06 1.344 . . . . 0.0 112.193 171.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 9.1 t -143.21 151.01 40.12 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.314 1.045 . . . . 0.0 112.165 -177.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.5 mt -87.44 -3.9 59.01 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.684 1.194 . . . . 0.0 113.254 170.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.0 m -131.44 111.4 11.77 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.897 1.679 . . . . 0.0 110.884 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.402 ' HG2' ' H ' ' A' ' 49' ' ' LYS . 21.6 pttt -60.81 -31.36 70.76 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.996 1.318 . . . . 0.0 113.971 -178.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.16 -34.84 81.99 Favored Glycine 0 CA--C 1.538 1.513 0 O-C-N 121.871 -0.518 . . . . 0.0 113.406 174.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -72.77 -35.52 67.45 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.286 -1.126 . . . . 0.0 111.765 172.204 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.68 -39.42 91.36 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.381 0.672 . . . . 0.0 112.211 171.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -59.07 -49.17 78.92 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.356 -0.84 . . . . 0.0 111.135 171.325 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.3 t -60.8 -39.64 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 CA-C-N 118.661 0.664 . . . . 0.0 111.85 177.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -57.2 -46.46 82.87 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.845 0.858 . . . . 0.0 111.718 175.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 93.7 mt -70.7 -42.63 77.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 O-C-N 121.023 -1.048 . . . . 0.0 111.233 177.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -63.95 -21.12 66.34 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.08 1.352 . . . . 0.0 113.859 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.7 ptm85 -105.89 -41.59 5.37 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.7 t -90.54 -42.85 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 CA-C-N 118.219 0.463 . . . . 0.0 111.557 -173.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -113.69 15.08 18.88 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -169.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? . . . . . 0 N--CA 1.471 0.581 0 C-N-CA 125.891 1.677 . . . . 0.0 109.738 173.831 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 . . . . . 0 N--CA 1.471 0.608 0 N-CA-C 110.805 -0.072 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 38.7 p-80 -133.07 148.23 52.19 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.582 0.753 . . . . 0.0 112.528 169.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 52.7 t -69.64 135.19 49.6 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.15 1.38 . . . . 0.0 112.457 178.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.83 -0.74 44.77 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 178.052 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -113.52 -35.68 5.17 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.473 1.109 . . . . 0.0 113.503 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.9 p -129.59 2.33 5.0 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 -176.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm 56.38 15.85 2.16 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 126.739 2.015 . . . . 0.0 115.549 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -63.3 137.89 58.34 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.931 1.292 . . . . 0.0 110.671 172.368 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -84.46 142.79 29.83 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.146 0.978 . . . . 0.0 112.058 177.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -131.45 144.23 51.01 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.19 1.796 . . . . 0.0 112.477 -176.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 44.1 p -81.27 -16.81 51.47 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.311 1.844 . . . . 0.0 114.671 -174.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -152.18 145.72 24.91 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 126.346 1.858 . . . . 0.0 108.362 176.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.9 p -57.87 -37.2 59.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 O-C-N 121.62 -0.675 . . . . 0.0 111.305 170.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -62.62 -32.5 73.53 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.8 1.182 . . . . 0.0 112.717 178.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -73.59 -35.51 65.43 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.305 0.642 . . . . 0.0 111.741 174.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.7 tp -62.45 -39.17 92.52 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.691 0.796 . . . . 0.0 112.457 174.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 16.2 mm -61.4 -46.31 96.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 O-C-N 121.641 -0.662 . . . . 0.0 110.747 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -59.24 -40.99 87.65 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.366 0.666 . . . . 0.0 111.847 177.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -60.97 -45.48 94.6 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.679 0.792 . . . . 0.0 113.05 171.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 66.5 mt -62.91 -43.45 98.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 O-C-N 121.33 -0.856 . . . . 0.0 110.792 176.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 76.6 mtp85 -63.04 -23.18 67.33 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 175.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -97.13 -44.27 7.03 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.541 1.137 . . . . 0.0 113.516 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -103.47 -25.57 13.19 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.9 1.28 . . . . 0.0 114.239 -171.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 57.0 m-70 . . . . . 0 CA--C 1.547 0.834 0 C-N-CA 125.374 1.47 . . . . 0.0 112.719 -173.375 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.2 mttp . . . . . 0 N--CA 1.478 0.975 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.37 -28.8 71.82 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 123.827 3.018 . . . . 0.0 115.373 -175.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -83.83 99.75 10.52 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.145 0.578 . . . . 0.0 111.245 -176.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -94.45 149.59 21.09 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.83 1.652 . . . . 0.0 112.265 -178.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.7 t -78.0 136.75 61.79 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 124.628 1.171 . . . . 0.0 110.664 171.007 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -78.61 -10.84 15.75 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 123.991 3.127 . . . . 0.0 112.277 173.055 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -108.03 -28.84 9.32 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.401 1.08 . . . . 0.0 113.497 -173.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.8 p -145.13 -176.0 4.92 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 178.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.3 m -72.36 0.14 10.87 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.312 1.445 . . . . 0.0 114.477 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -61.33 145.32 51.87 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.736 1.215 . . . . 0.0 113.794 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.18 152.57 36.28 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.801 1.24 . . . . 0.0 111.796 169.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.8 t -144.33 168.23 20.59 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.745 1.218 . . . . 0.0 112.584 173.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.95 -1.45 58.0 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.273 1.429 . . . . 0.0 114.375 177.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 56.7 mt -135.19 135.43 52.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 125.285 1.434 . . . . 0.0 110.047 -170.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -63.13 -39.54 94.99 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 123.987 0.915 . . . . 0.0 112.692 177.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.99 -36.1 76.44 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.786 0.834 . . . . 0.0 113.014 173.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -71.41 -25.22 62.24 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.568 -0.707 . . . . 0.0 112.46 175.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.5 tp -76.65 -44.7 32.88 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.35 -0.844 . . . . 0.0 111.064 168.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -54.25 -48.25 71.37 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 119.083 0.856 . . . . 0.0 111.461 176.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.08 -33.77 65.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 123.669 0.787 . . . . 0.0 112.295 -176.423 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -69.04 -38.65 79.24 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.681 1.193 . . . . 0.0 112.772 178.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.9 mt -65.88 -24.38 66.85 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.596 0.758 . . . . 0.0 112.587 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.5 mtp-105 . . . . . 0 N--CA 1.476 0.866 0 C-N-CA 123.938 0.895 . . . . 0.0 112.145 173.452 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.546 0 N-CA-C 114.557 1.318 . . . . 0.0 114.557 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.5 t -67.95 143.9 55.43 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 122.192 0.996 . . . . 0.0 112.133 171.243 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -85.61 -7.75 58.65 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.01 0.924 . . . . 0.0 111.925 173.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -117.57 -27.19 6.38 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.042 1.337 . . . . 0.0 113.381 -172.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.4 p -138.51 -176.6 4.52 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 172.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.1 p -75.93 4.44 8.2 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.487 1.515 . . . . 0.0 114.139 176.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -60.34 146.05 45.52 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.563 1.145 . . . . 0.0 113.015 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 52.0 p -142.13 153.05 43.8 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 125.355 1.462 . . . . 0.0 112.032 170.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 5.4 t -142.13 170.64 15.33 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.542 1.137 . . . . 0.0 112.121 178.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -93.39 5.79 50.37 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.064 1.746 . . . . 0.0 113.796 178.269 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.2 t -145.22 137.86 26.09 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.71 1.204 . . . . 0.0 112.469 173.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.1 pttt -59.24 -32.86 70.36 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.703 1.601 . . . . 0.0 112.516 169.14 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.17 -41.31 70.06 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 123.748 0.689 . . . . 0.0 112.354 176.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 62.2 m170 -69.96 -34.05 72.9 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.464 -1.021 . . . . 0.0 112.163 173.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.32 -43.53 98.72 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.589 0.756 . . . . 0.0 111.994 170.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -57.95 -49.62 76.17 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.519 -0.738 . . . . 0.0 110.776 172.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 76.4 t -59.14 -39.47 78.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 118.7 0.682 . . . . 0.0 111.932 177.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -57.62 -47.16 82.95 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.526 0.603 . . . . 0.0 111.911 175.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 82.4 mt -70.23 -39.53 76.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 O-C-N 120.913 -1.117 . . . . 0.0 111.091 178.139 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -69.3 -11.41 60.78 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.401 1.48 . . . . 0.0 114.25 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -114.34 -41.04 3.53 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 175.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 40.5 t -90.19 -47.71 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 122.957 0.503 . . . . 0.0 111.33 -173.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -103.34 22.6 13.88 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.431 1.492 . . . . 0.0 113.247 -177.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? . . . . . 0 CA--C 1.539 0.53 0 C-N-CA 125.994 1.718 . . . . 0.0 111.13 173.931 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 . . . . . 0 N--CA 1.472 0.67 0 N-CA-C 110.637 -0.135 . . . . 0.0 110.637 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -138.14 152.52 48.78 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.198 -0.938 . . . . 0.0 113.069 168.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 53.1 t -73.7 132.42 42.67 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.976 1.711 . . . . 0.0 112.652 -179.032 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.76 -4.1 50.48 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 177.67 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -107.81 -34.71 6.87 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.271 1.029 . . . . 0.0 113.419 -178.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.8 p -131.12 3.92 4.38 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 -177.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt 59.41 11.55 2.29 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 126.617 1.967 . . . . 0.0 115.302 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -64.55 135.73 56.3 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.901 1.28 . . . . 0.0 111.047 175.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -82.65 141.08 32.77 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.284 1.034 . . . . 0.0 111.544 176.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -127.86 140.52 51.97 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.749 1.62 . . . . 0.0 111.946 -176.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 39.5 p -73.2 -22.64 60.41 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.478 1.511 . . . . 0.0 114.262 -174.046 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -149.31 148.09 29.12 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.037 1.735 . . . . 0.0 109.495 178.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.7 p -58.36 -38.89 72.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 CA-C-O 118.683 -0.675 . . . . 0.0 111.852 172.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -64.89 -33.07 75.13 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.881 1.219 . . . . 0.0 112.33 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -71.02 -36.15 72.29 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 122.973 0.509 . . . . 0.0 111.552 173.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.86 -39.8 95.54 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.606 0.763 . . . . 0.0 112.505 175.154 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 15.2 mm -60.49 -45.3 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 118.633 0.651 . . . . 0.0 110.594 178.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -63.45 -39.15 93.72 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.174 0.59 . . . . 0.0 112.031 178.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -60.24 -45.66 92.49 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 118.759 0.708 . . . . 0.0 112.681 170.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 59.9 mt -60.62 -44.67 97.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 O-C-N 121.57 -0.706 . . . . 0.0 110.416 175.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 43.0 mtt-85 -67.44 -18.81 65.23 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 115.502 1.668 . . . . 0.0 115.502 176.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -97.65 -38.92 9.33 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.138 0.975 . . . . 0.0 113.313 178.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.11 -26.66 11.02 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.925 1.29 . . . . 0.0 114.384 -173.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 42.2 m-70 . . . . . 0 CA--C 1.549 0.91 0 C-N-CA 125.683 1.593 . . . . 0.0 112.507 -171.546 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt . . . . . 0 N--CA 1.481 1.113 0 N-CA-C 113.194 0.812 . . . . 0.0 113.194 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -65.51 -27.57 54.0 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 124.211 3.274 . . . . 0.0 115.42 -173.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -82.73 94.66 7.65 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.025 0.53 . . . . 0.0 111.112 -176.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -90.73 148.47 22.56 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.28 1.832 . . . . 0.0 111.943 -178.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.2 t -77.82 134.28 64.99 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 124.357 1.063 . . . . 0.0 110.145 171.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -78.51 -7.11 15.77 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 123.965 3.11 . . . . 0.0 112.324 171.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -113.08 -26.32 8.52 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.859 1.263 . . . . 0.0 113.295 -170.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.4 p -146.34 -173.8 4.28 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.289 1.036 . . . . 0.0 113.327 172.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.8 m -74.11 0.84 12.6 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.249 1.42 . . . . 0.0 114.713 -177.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -61.89 146.75 48.87 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.287 1.435 . . . . 0.0 113.972 -178.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.17 151.91 35.15 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.866 1.266 . . . . 0.0 112.035 169.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.2 t -143.78 166.31 25.24 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.643 1.177 . . . . 0.0 112.443 173.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.2 -1.04 57.61 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.084 1.354 . . . . 0.0 114.281 177.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 54.9 mt -133.58 134.86 56.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 125.386 1.474 . . . . 0.0 109.939 -171.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -63.27 -39.72 95.39 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.717 0.807 . . . . 0.0 112.836 178.208 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.18 -35.76 76.08 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.874 0.869 . . . . 0.0 113.073 174.027 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -71.1 -25.15 62.47 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.506 -0.746 . . . . 0.0 112.452 175.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.1 tp -76.84 -45.38 28.66 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.069 0.85 . . . . 0.0 111.019 168.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -53.67 -47.18 70.65 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.205 0.912 . . . . 0.0 111.59 176.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.3 -34.07 66.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 123.553 0.741 . . . . 0.0 112.266 -177.119 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -69.05 -38.05 78.89 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.614 1.166 . . . . 0.0 112.778 178.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 62.0 mt -64.75 -23.45 67.25 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.606 0.763 . . . . 0.0 112.707 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 . . . . . 0 N--CA 1.475 0.818 0 C-N-CA 124.103 0.961 . . . . 0.0 112.272 174.143 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.61 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.8 t -67.61 142.85 56.31 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 122.203 1.001 . . . . 0.0 111.59 171.23 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -82.12 -5.09 58.17 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.856 0.863 . . . . 0.0 112.113 175.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -122.08 -26.59 4.71 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.513 1.125 . . . . 0.0 113.621 -170.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 29.4 p -140.22 -178.28 5.4 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.33 1.052 . . . . 0.0 113.321 171.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.8 m -73.72 5.14 4.23 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.351 1.46 . . . . 0.0 114.083 177.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -61.22 146.56 47.33 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.008 0.923 . . . . 0.0 112.718 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 80.6 p -138.66 154.9 48.65 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 125.019 1.328 . . . . 0.0 112.11 170.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 17.3 t -147.57 152.56 38.16 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.064 0.946 . . . . 0.0 112.171 -175.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 64.6 mt -86.63 -2.07 58.2 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.006 1.322 . . . . 0.0 113.343 172.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.2 t -133.37 124.53 27.34 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 125.828 1.651 . . . . 0.0 111.608 177.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -60.73 -33.15 72.48 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 125.459 1.504 . . . . 0.0 113.167 172.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -75.31 -35.19 48.94 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 123.756 0.693 . . . . 0.0 112.934 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -71.89 -34.78 69.43 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.286 -1.126 . . . . 0.0 111.849 169.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.0 tp -62.29 -38.73 90.48 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.5 -0.75 . . . . 0.0 112.21 171.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -57.79 -50.28 73.79 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.486 -0.758 . . . . 0.0 110.877 170.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.6 t -59.18 -40.17 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 118.974 0.806 . . . . 0.0 111.897 177.219 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -56.74 -47.3 80.32 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.547 0.739 . . . . 0.0 111.803 175.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 87.7 mt -71.16 -40.55 74.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 O-C-N 120.766 -1.209 . . . . 0.0 111.29 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -67.41 -11.94 59.02 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.642 1.577 . . . . 0.0 114.069 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -116.22 -41.11 3.18 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 176.093 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 38.7 t -88.85 -45.62 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-N 118.374 0.534 . . . . 0.0 111.251 -173.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -105.55 17.45 23.83 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.323 1.449 . . . . 0.0 113.599 -175.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? . . . . . 0 N--CA 1.468 0.459 0 C-N-CA 126.002 1.721 . . . . 0.0 111.207 178.983 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 . . . . . 0 CA--C 1.54 0.572 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 42.5 p-80 -134.95 148.39 50.01 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 170.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 44.6 t -70.63 134.92 48.0 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.474 1.509 . . . . 0.0 112.252 175.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.1 -3.19 51.16 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 178.163 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -108.33 -52.91 2.7 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.419 1.088 . . . . 0.0 112.244 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 23.5 p -111.93 0.2 15.99 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -173.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? 59.04 15.88 4.33 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 126.577 1.951 . . . . 0.0 114.439 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -64.35 138.28 58.35 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.164 1.386 . . . . 0.0 110.493 171.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -88.11 144.81 26.28 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.875 0.87 . . . . 0.0 112.504 176.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -134.14 127.62 32.43 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.868 1.667 . . . . 0.0 111.927 -174.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 49.7 m -79.96 -8.13 59.17 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -178.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -138.96 133.9 32.4 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.424 1.49 . . . . 0.0 109.515 171.054 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.75 -36.77 73.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 CA-C-O 118.827 -0.606 . . . . 0.0 111.513 174.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -64.47 -34.58 78.54 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.865 1.211 . . . . 0.0 112.079 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -72.23 -32.35 66.64 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 174.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.6 tp -61.92 -41.35 97.83 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 118.303 0.501 . . . . 0.0 111.804 171.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 13.9 mm -61.94 -47.56 92.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 CA-C-N 118.575 0.625 . . . . 0.0 110.459 177.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -59.4 -41.1 88.65 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.403 0.681 . . . . 0.0 111.815 178.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -60.21 -45.99 91.27 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.99 0.916 . . . . 0.0 112.962 171.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 61.8 mt -62.85 -42.83 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-N 119.22 0.918 . . . . 0.0 110.782 176.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 77.9 mtp85 -64.81 -23.22 67.17 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 175.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -97.27 -41.66 8.17 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.641 1.177 . . . . 0.0 113.671 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -104.79 -25.46 12.64 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.977 1.311 . . . . 0.0 114.189 -171.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 . . . . . 0 CA--C 1.547 0.831 0 C-N-CA 125.11 1.364 . . . . 0.0 113.225 -172.863 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 N--CA 1.479 0.992 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -60.99 -32.01 91.93 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 124.382 3.388 . . . . 0.0 115.19 -174.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -82.56 104.74 13.05 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.627 0.771 . . . . 0.0 110.633 -175.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -98.11 149.66 22.27 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.285 1.434 . . . . 0.0 112.124 -176.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.9 t -77.07 133.72 68.7 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 123.595 0.758 . . . . 0.0 109.991 169.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -77.42 -7.81 17.04 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 123.715 2.943 . . . . 0.0 112.318 173.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -116.06 -24.89 7.86 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -171.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.1 p -143.49 -172.65 3.76 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 172.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.5 p -75.87 -0.12 20.18 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.314 1.446 . . . . 0.0 114.68 -178.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -60.28 146.5 43.66 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.893 1.277 . . . . 0.0 114.039 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.99 154.6 39.59 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.857 1.263 . . . . 0.0 111.919 170.049 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.6 t -146.46 167.31 23.97 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.651 1.18 . . . . 0.0 112.602 173.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.25 -0.87 57.39 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.462 1.505 . . . . 0.0 114.536 176.188 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 56.0 mt -135.46 135.17 51.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 125.177 1.391 . . . . 0.0 110.206 -171.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -62.65 -40.24 96.41 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.807 0.843 . . . . 0.0 112.561 177.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.01 76.87 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.943 0.897 . . . . 0.0 112.874 175.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -70.53 -25.57 63.18 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.54 -0.725 . . . . 0.0 112.41 174.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.0 tp -76.96 -44.81 29.89 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 118.941 0.791 . . . . 0.0 111.084 169.07 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -53.86 -45.8 71.07 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.14 0.882 . . . . 0.0 111.499 176.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.2 -34.29 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 C-N-CA 123.572 0.749 . . . . 0.0 112.403 -176.611 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -67.79 -39.96 83.99 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.804 1.242 . . . . 0.0 112.766 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.0 mt -61.21 -21.52 63.91 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.975 0.91 . . . . 0.0 113.156 -178.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 . . . . . 0 N--CA 1.477 0.901 0 C-N-CA 125.719 1.607 . . . . 0.0 114.118 -178.659 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.403 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.8 t -69.23 140.75 54.54 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 122.11 0.957 . . . . 0.0 111.678 172.039 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -84.1 -4.02 58.49 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.82 0.848 . . . . 0.0 111.962 173.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -120.42 -27.22 5.24 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.974 1.309 . . . . 0.0 113.245 -170.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.3 p -139.88 -177.4 4.96 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.515 1.126 . . . . 0.0 112.904 171.22 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.9 m -74.16 5.41 4.44 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.198 1.399 . . . . 0.0 114.104 177.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -62.3 145.81 52.74 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.782 1.233 . . . . 0.0 113.213 -178.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 77.6 p -140.53 156.24 46.37 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 125.271 1.428 . . . . 0.0 112.102 169.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.4 t -144.64 167.24 23.02 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.695 1.198 . . . . 0.0 111.232 176.081 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -95.97 12.18 31.32 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.483 1.513 . . . . 0.0 112.377 172.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.8 t -138.85 128.5 24.73 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.491 1.516 . . . . 0.0 112.475 174.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.3 pttt -61.1 -33.63 73.67 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.466 1.506 . . . . 0.0 112.333 169.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.34 -44.26 75.26 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 123.843 0.735 . . . . 0.0 112.43 177.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -71.26 -32.78 69.14 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.47 -1.017 . . . . 0.0 112.385 175.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.3 tp -58.55 -43.09 89.21 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 119.012 0.824 . . . . 0.0 111.845 169.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.9 tttt -61.16 -47.16 87.49 Favored 'General case' 0 N--CA 1.463 0.225 0 O-C-N 121.579 -0.701 . . . . 0.0 110.406 176.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.4 t -61.4 -40.64 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 122.914 0.486 . . . . 0.0 111.772 177.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -57.34 -45.4 84.36 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.041 0.936 . . . . 0.0 112.26 175.103 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.4 mt -71.15 -41.83 75.66 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 O-C-N 121.045 -1.034 . . . . 0.0 111.001 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -64.52 -21.8 66.79 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.065 1.346 . . . . 0.0 113.64 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -102.95 -41.85 6.0 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.689 1.196 . . . . 0.0 113.864 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 25.2 t -92.33 -45.25 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-N 118.218 0.463 . . . . 0.0 111.646 -173.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -112.65 18.91 17.94 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 115.365 1.617 . . . . 0.0 115.365 -169.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? . . . . . 0 N--CA 1.471 0.581 0 C-N-CA 125.155 1.382 . . . . 0.0 111.364 -178.34 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 . . . . . 0 N--CA 1.469 0.481 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 45.0 p-80 -139.46 149.3 43.86 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.558 0.743 . . . . 0.0 112.22 168.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 53.3 t -76.15 122.09 23.8 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.97 1.308 . . . . 0.0 109.733 169.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.78 -22.21 62.4 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 120.806 -1.184 . . . . 0.0 113.496 178.087 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -81.95 -36.09 28.35 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.453 1.101 . . . . 0.0 113.661 -173.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 29.2 p -126.58 0.24 6.84 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 179.096 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . 0.337 63.2 mttp 58.08 28.05 15.79 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.959 2.104 . . . . 0.0 114.372 174.33 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -76.39 137.19 39.61 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 127.082 2.153 . . . . 0.0 110.247 169.128 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -91.66 146.94 23.37 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.174 0.99 . . . . 0.0 112.209 176.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -134.48 131.93 38.66 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.968 1.707 . . . . 0.0 111.051 -173.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 57.7 p -83.16 -6.47 59.49 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.13 1.372 . . . . 0.0 113.706 176.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -139.95 131.92 27.77 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.27 1.828 . . . . 0.0 110.566 177.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.8 p -65.81 -37.67 80.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-O 118.84 -0.6 . . . . 0.0 111.841 173.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -66.84 -37.64 84.88 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 120.222 1.373 . . . . 0.0 111.887 -177.25 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -70.17 -28.32 65.24 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 171.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.0 tp -62.59 -42.36 99.51 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 119.524 1.056 . . . . 0.0 111.686 170.197 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 15.9 mm -62.06 -45.22 99.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 O-C-N 121.707 -0.621 . . . . 0.0 110.531 177.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -60.06 -43.42 95.43 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.365 0.666 . . . . 0.0 111.882 176.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 66.6 t60 -58.48 -44.46 89.35 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.94 0.896 . . . . 0.0 112.504 172.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 54.4 mt -62.94 -45.38 99.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 O-C-N 121.566 -0.709 . . . . 0.0 111.065 175.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -63.05 -28.5 70.13 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 177.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -90.68 -45.9 8.58 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.236 1.014 . . . . 0.0 113.435 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -99.26 -25.63 14.44 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.726 1.21 . . . . 0.0 114.13 -172.231 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 . . . . . 0 CA--C 1.548 0.888 0 C-N-CA 125.673 1.589 . . . . 0.0 112.771 -172.785 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -61.61 -32.12 87.25 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 124.377 3.384 . . . . 0.0 115.402 -176.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -81.92 105.65 13.21 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.574 0.75 . . . . 0.0 111.03 -175.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -99.9 149.02 23.84 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.264 1.425 . . . . 0.0 112.357 -176.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.3 t -76.84 134.84 68.19 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 123.684 0.794 . . . . 0.0 110.169 169.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -77.58 -8.54 17.12 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 123.737 2.958 . . . . 0.0 112.341 173.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -115.13 -25.71 7.98 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -171.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.8 p -142.75 -174.57 4.2 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 174.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.8 p -75.02 0.78 14.79 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.403 1.481 . . . . 0.0 114.692 -178.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -60.13 145.31 47.28 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.946 1.298 . . . . 0.0 114.017 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -146.91 152.16 38.23 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.097 1.359 . . . . 0.0 111.823 171.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.4 t -146.62 168.07 22.18 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.558 1.143 . . . . 0.0 112.523 172.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.65 -0.99 57.88 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.334 1.453 . . . . 0.0 114.332 177.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 56.4 mt -135.24 135.49 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 125.236 1.414 . . . . 0.0 110.248 -170.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -63.23 -40.02 96.28 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.952 0.901 . . . . 0.0 112.743 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.97 -36.01 76.2 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.724 0.81 . . . . 0.0 113.032 174.058 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -71.03 -26.4 63.09 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.447 -0.783 . . . . 0.0 112.386 175.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.5 tp -75.82 -44.86 39.0 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 119.006 0.821 . . . . 0.0 111.087 169.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -54.36 -46.57 73.01 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 118.966 0.803 . . . . 0.0 111.606 176.465 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.25 -34.12 64.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 123.395 0.678 . . . . 0.0 112.381 -176.372 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -67.57 -40.08 84.9 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.575 1.15 . . . . 0.0 112.836 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 61.8 mt -61.51 -21.86 64.6 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.06 0.944 . . . . 0.0 113.358 -178.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.0 mtp85 . . . . . 0 N--CA 1.477 0.89 0 C-N-CA 125.809 1.644 . . . . 0.0 114.279 -178.967 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.421 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.1 t -68.77 141.49 55.19 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 122.217 1.008 . . . . 0.0 111.81 171.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -82.78 -7.24 59.67 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.919 0.887 . . . . 0.0 111.892 174.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -120.04 -25.96 5.66 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.704 1.202 . . . . 0.0 113.804 -171.008 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 29.5 p -139.19 -177.91 5.12 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 169.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.1 m -72.66 3.36 5.12 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.299 1.439 . . . . 0.0 114.045 176.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -60.2 145.45 47.11 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.196 0.998 . . . . 0.0 113.127 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.7 p -142.84 149.65 38.85 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 125.486 1.515 . . . . 0.0 112.004 173.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 18.6 t -140.23 152.16 45.73 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.663 1.185 . . . . 0.0 112.208 -178.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -83.57 -7.8 59.45 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.503 1.121 . . . . 0.0 112.713 172.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.8 m -129.07 124.79 35.73 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.881 1.672 . . . . 0.0 112.016 -176.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -66.11 -37.15 85.03 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.181 1.392 . . . . 0.0 113.337 -173.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.19 -34.95 91.0 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 123.569 0.604 . . . . 0.0 113.344 177.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -74.23 -31.81 62.74 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.407 -1.055 . . . . 0.0 112.237 175.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 54.6 tp -60.52 -43.04 97.53 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 119.389 0.995 . . . . 0.0 111.239 169.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -58.16 -53.16 61.43 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.885 -0.509 . . . . 0.0 110.28 175.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 69.8 t -61.24 -36.95 76.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -55.77 -43.47 76.77 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.327 0.651 . . . . 0.0 111.883 173.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 78.7 mt -72.03 -37.29 59.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 O-C-N 120.873 -1.142 . . . . 0.0 111.062 175.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -69.9 -10.98 60.47 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.441 1.274 . . . . 0.0 114.441 177.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.7 ptt180 -114.68 -39.97 3.66 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 179.193 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.3 t -92.24 -45.36 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 C-N-CA 122.641 0.376 . . . . 0.0 111.306 -175.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 65.5 m-70 -110.48 22.92 14.89 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.041 1.336 . . . . 0.0 114.23 -172.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.473 0.7 0 C-N-CA 124.409 1.084 . . . . 0.0 110.83 179.074 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.0 mp0 . . . . . 0 N--CA 1.471 0.576 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -132.26 147.3 52.4 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.206 1.003 . . . . 0.0 111.873 167.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 52.8 t -72.43 130.36 40.52 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.501 1.521 . . . . 0.0 111.443 175.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.97 -17.17 61.04 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 179.154 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -91.47 -40.57 11.33 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.318 1.047 . . . . 0.0 112.818 -176.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.6 p -128.98 0.77 5.29 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 115.377 1.621 . . . . 0.0 115.377 -174.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 60.42 17.37 7.15 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 126.722 2.009 . . . . 0.0 114.309 175.46 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -67.42 134.67 51.85 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.426 1.49 . . . . 0.0 110.301 170.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -87.2 142.85 27.6 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.55 0.74 . . . . 0.0 112.301 177.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -128.1 132.07 49.0 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.631 1.172 . . . . 0.0 111.313 -177.182 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.8 m -79.83 -20.03 47.03 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.588 1.155 . . . . 0.0 113.727 -176.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -138.31 130.7 28.96 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.761 1.624 . . . . 0.0 109.922 176.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.19 -35.25 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -174.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -58.77 -36.02 73.71 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 121.182 -0.949 . . . . 0.0 112.462 178.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -78.37 -25.25 46.22 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 175.096 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.1 tp -64.39 -43.68 93.71 Favored 'General case' 0 CA--C 1.537 0.442 0 CA-C-N 119.16 0.891 . . . . 0.0 110.896 169.269 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 17.1 mm -61.3 -45.18 99.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 O-C-N 121.731 -0.606 . . . . 0.0 110.511 176.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -61.16 -43.08 99.44 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.056 0.942 . . . . 0.0 111.939 177.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 59.6 t60 -59.92 -44.36 94.35 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.267 1.027 . . . . 0.0 112.55 171.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 58.1 mt -60.81 -46.92 95.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 O-C-N 121.64 -0.662 . . . . 0.0 110.712 176.077 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -62.07 -38.14 87.66 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 175.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -81.74 -40.11 23.2 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 -177.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -101.69 -29.94 11.62 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -171.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 . . . . . 0 N--CA 1.475 0.824 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 -171.604 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt . . . . . 0 N--CA 1.481 1.079 0 N-CA-C 114.36 1.245 . . . . 0.0 114.36 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -64.61 -29.42 60.78 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 124.553 3.502 . . . . 0.0 115.806 -177.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -87.55 106.22 17.85 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.185 0.594 . . . . 0.0 111.192 -176.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -100.91 150.19 23.11 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 125.274 1.43 . . . . 0.0 112.035 -178.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.2 t -76.2 137.13 68.58 Favored Pre-proline 0 CA--C 1.548 0.875 0 C-N-CA 124.3 1.04 . . . . 0.0 110.521 170.327 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -77.71 -11.48 16.88 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 123.905 3.07 . . . . 0.0 112.456 174.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -111.7 -26.96 8.73 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -173.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.0 p -141.76 -176.81 4.91 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 177.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.5 p -73.73 0.46 12.92 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.32 1.448 . . . . 0.0 114.623 -177.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -60.07 143.46 52.0 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.908 1.283 . . . . 0.0 113.778 178.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.12 152.93 35.53 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.699 1.2 . . . . 0.0 112.243 169.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 t -147.11 170.68 16.68 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.829 1.251 . . . . 0.0 112.614 177.353 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -92.55 -0.94 57.27 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.502 1.521 . . . . 0.0 114.242 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 65.6 mt -135.9 134.19 50.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.354 1.462 . . . . 0.0 109.9 -170.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -63.04 -38.87 92.9 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 121.537 -0.727 . . . . 0.0 112.577 178.192 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.04 -34.31 74.67 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.958 0.903 . . . . 0.0 113.212 175.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -68.4 -37.97 80.86 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.44 -0.787 . . . . 0.0 111.314 173.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 54.9 tp -65.7 -45.23 83.59 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.24 -0.913 . . . . 0.0 111.521 171.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -54.5 -46.42 73.45 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.276 0.944 . . . . 0.0 111.668 176.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.29 -35.96 70.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 123.183 0.593 . . . . 0.0 112.255 -176.625 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -65.53 -41.93 92.56 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.05 0.94 . . . . 0.0 112.635 178.16 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 61.6 mt -60.65 -21.26 62.59 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.28 1.032 . . . . 0.0 113.276 -178.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 . . . . . 0 N--CA 1.477 0.878 0 C-N-CA 124.687 1.195 . . . . 0.0 113.413 179.485 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.459 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.3 t -64.31 142.12 58.53 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 122.81 1.29 . . . . 0.0 111.457 169.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -77.22 -8.28 57.3 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 114.733 -1.121 . . . . 0.0 112.153 175.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -125.36 -25.64 3.73 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 -169.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 26.7 p -137.82 -177.96 5.04 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 169.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.0 m -74.39 4.44 5.91 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.439 1.496 . . . . 0.0 114.057 177.137 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -60.57 149.07 35.87 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.315 1.046 . . . . 0.0 112.831 178.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 47.9 p -141.5 153.59 45.01 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.967 1.307 . . . . 0.0 112.682 173.071 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 7.7 t -148.25 153.17 38.36 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.195 0.998 . . . . 0.0 112.329 175.25 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 97.3 mt -82.59 -2.51 53.98 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.736 1.214 . . . . 0.0 113.623 171.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.2 t -126.65 121.78 33.11 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.678 1.591 . . . . 0.0 110.664 177.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -65.98 -30.82 71.44 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.655 1.182 . . . . 0.0 112.707 176.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.31 -38.22 71.03 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 123.644 0.64 . . . . 0.0 112.889 174.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 60.3 m80 -68.75 -39.79 80.13 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.448 -1.03 . . . . 0.0 112.594 172.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 62.8 tp -59.14 -39.52 82.66 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.174 0.99 . . . . 0.0 112.169 170.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -57.58 -53.75 54.58 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 118.449 -0.786 . . . . 0.0 110.32 169.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 85.3 t -55.13 -40.63 55.99 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-N 119.351 0.978 . . . . 0.0 112.371 177.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -56.63 -45.92 81.26 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 118.789 0.722 . . . . 0.0 112.063 175.118 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 91.9 mt -72.26 -38.72 62.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 O-C-N 120.696 -1.253 . . . . 0.0 111.463 178.137 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -69.68 -11.75 61.09 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.506 1.522 . . . . 0.0 113.451 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -114.83 -42.39 3.24 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.727 1.211 . . . . 0.0 114.23 176.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.3 t -88.99 -47.31 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 118.251 0.478 . . . . 0.0 111.109 -174.388 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -105.59 23.45 13.81 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.454 1.502 . . . . 0.0 113.587 -175.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? . . . . . 0 CA--C 1.546 0.811 0 C-N-CA 125.408 1.483 . . . . 0.0 111.183 175.668 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.6 mp0 . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 120.276 0.084 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -134.91 150.78 50.46 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.769 0.828 . . . . 0.0 112.601 167.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 50.8 t -77.28 131.98 38.42 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.92 1.688 . . . . 0.0 111.956 176.321 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.51 -15.19 60.42 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -93.0 -37.54 12.14 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.221 1.009 . . . . 0.0 112.913 -177.366 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 23.8 p -131.46 0.18 4.03 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 115.512 1.671 . . . . 0.0 115.512 -173.271 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt 56.65 19.05 4.01 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 126.317 1.847 . . . . 0.0 115.022 -178.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -65.95 136.52 56.2 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.466 1.106 . . . . 0.0 110.144 169.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 62.8 mtpt -87.77 141.31 28.7 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.696 0.798 . . . . 0.0 111.98 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -125.14 157.9 35.25 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 125.992 1.717 . . . . 0.0 111.312 -177.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.5 t -118.49 5.15 11.72 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.974 1.309 . . . . 0.0 113.887 -175.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -153.52 135.37 14.58 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 125.905 1.682 . . . . 0.0 108.445 168.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.9 p -59.66 -37.38 70.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-O 118.812 -0.613 . . . . 0.0 111.181 177.334 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -63.64 -36.92 85.43 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.517 1.053 . . . . 0.0 111.876 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -74.09 -27.2 60.78 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 174.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.8 tp -64.47 -42.1 96.11 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.965 0.802 . . . . 0.0 111.336 169.452 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 15.0 mm -61.7 -46.58 96.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 O-C-N 121.728 -0.608 . . . . 0.0 110.377 174.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -57.7 -41.9 82.65 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.333 1.053 . . . . 0.0 111.991 178.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 60.0 t60 -61.37 -44.92 96.34 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.502 1.121 . . . . 0.0 112.979 171.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 57.9 mt -63.21 -42.0 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 O-C-N 121.321 -0.862 . . . . 0.0 110.83 176.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 77.4 mtp85 -65.06 -21.69 66.86 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 114.638 1.348 . . . . 0.0 114.638 174.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -97.4 -42.36 7.78 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.598 1.159 . . . . 0.0 113.66 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.29 -25.44 11.48 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.929 1.292 . . . . 0.0 114.319 -170.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 . . . . . 0 CA--C 1.549 0.924 0 C-N-CA 125.413 1.485 . . . . 0.0 112.564 -174.328 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.6 mttt . . . . . 0 CA--C 1.55 0.947 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.12 -28.93 88.01 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 124.797 3.665 . . . . 0.0 115.28 -175.149 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -87.2 101.71 13.77 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.438 0.695 . . . . 0.0 110.992 -177.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -97.55 150.13 21.45 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.516 1.527 . . . . 0.0 111.623 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.1 t -75.97 136.44 69.83 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 124.104 0.962 . . . . 0.0 110.499 170.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -77.6 -10.52 17.19 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 123.874 3.049 . . . . 0.0 112.293 174.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -112.28 -27.38 8.34 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 -173.132 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.2 p -143.73 -177.49 5.44 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.523 0.935 . . . . 0.0 113.523 178.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.8 m -71.56 -0.3 10.31 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.219 1.408 . . . . 0.0 114.566 -177.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -62.28 145.89 52.48 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.014 1.326 . . . . 0.0 113.921 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -151.13 156.41 40.94 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.635 1.174 . . . . 0.0 111.926 169.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.0 t -146.8 167.07 24.79 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.749 1.22 . . . . 0.0 112.575 173.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.39 -2.15 57.79 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.268 1.427 . . . . 0.0 114.558 175.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 56.1 mt -133.81 135.0 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 125.148 1.379 . . . . 0.0 110.363 -171.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -62.85 -39.8 95.5 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.01 0.924 . . . . 0.0 112.64 177.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.11 -35.64 75.68 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.775 0.83 . . . . 0.0 113.101 173.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -71.57 -25.84 62.37 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.395 -0.816 . . . . 0.0 112.438 175.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.2 tp -76.38 -44.7 35.11 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.404 -0.81 . . . . 0.0 111.035 168.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -53.53 -48.12 69.35 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.237 0.926 . . . . 0.0 111.328 176.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.35 -33.9 66.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 123.467 0.707 . . . . 0.0 112.39 -176.526 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -68.79 -40.8 79.42 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.409 1.083 . . . . 0.0 112.51 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 71.1 mt -63.1 -26.75 68.97 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.689 0.796 . . . . 0.0 112.311 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 . . . . . 0 N--CA 1.481 1.087 0 C-N-CA 125.02 1.328 . . . . 0.0 113.977 175.682 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.557 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.7 t -66.42 142.44 57.58 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 122.216 1.008 . . . . 0.0 111.569 171.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -81.94 -5.0 57.93 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.777 0.831 . . . . 0.0 112.03 175.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -121.96 -26.56 4.76 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.653 1.181 . . . . 0.0 113.668 -170.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.4 p -140.67 -178.55 5.58 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.33 1.052 . . . . 0.0 113.246 171.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.7 m -72.64 4.04 4.38 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.305 1.442 . . . . 0.0 114.151 177.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -61.63 148.49 42.31 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.358 1.063 . . . . 0.0 113.152 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.0 p -142.59 149.84 39.54 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 125.239 1.416 . . . . 0.0 111.848 174.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.7 t -147.38 152.67 38.55 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.638 0.775 . . . . 0.0 112.26 176.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -78.43 -2.44 38.41 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.524 1.529 . . . . 0.0 112.878 175.075 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.9 t -132.11 126.38 33.58 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.903 1.681 . . . . 0.0 111.902 177.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.7 pttt -64.92 -30.96 71.98 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.933 1.293 . . . . 0.0 112.733 171.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.69 -37.12 76.47 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 123.655 0.645 . . . . 0.0 112.692 177.541 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -73.56 -35.57 65.5 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.386 1.093 . . . . 0.0 112.023 170.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.8 tp -61.24 -38.11 85.48 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.509 -0.744 . . . . 0.0 112.336 174.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -57.28 -49.15 76.99 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.721 -0.612 . . . . 0.0 110.956 171.173 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.46 -39.2 83.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 123.111 0.565 . . . . 0.0 111.683 177.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 65.1 t60 -58.11 -44.21 87.57 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.513 0.725 . . . . 0.0 111.979 174.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 80.9 mt -70.92 -40.71 76.75 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 O-C-N 120.727 -1.233 . . . . 0.0 111.018 177.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -68.81 -16.0 63.66 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.966 1.306 . . . . 0.0 113.947 179.233 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -106.1 -40.77 5.55 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 176.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.0 t -92.97 -46.37 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 118.175 0.443 . . . . 0.0 111.555 -174.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -107.96 14.03 25.65 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 115.151 1.537 . . . . 0.0 115.151 -170.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.471 0.595 0 C-N-CA 125.599 1.56 . . . . 0.0 110.355 178.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 . . . . . 0 N--CA 1.472 0.628 0 CA-C-O 119.983 -0.056 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -138.48 154.05 48.81 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 170.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.8 t -73.66 140.83 46.38 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.604 1.962 . . . . 0.0 113.006 177.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.23 -3.31 58.6 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.623 1.169 . . . . 0.0 113.791 176.784 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -108.81 -34.42 6.67 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.317 1.047 . . . . 0.0 113.286 -178.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 22.0 p -131.59 4.32 4.26 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 -177.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? 58.66 12.03 2.02 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 126.692 1.997 . . . . 0.0 115.385 179.27 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -64.71 139.06 58.72 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.049 1.34 . . . . 0.0 111.355 175.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -86.29 145.03 27.1 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.341 1.057 . . . . 0.0 112.111 176.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -132.01 141.61 49.31 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.042 1.737 . . . . 0.0 112.902 -172.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.5 p -76.78 -23.52 52.9 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.002 1.721 . . . . 0.0 114.484 -173.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -148.43 145.64 28.09 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 126.511 1.924 . . . . 0.0 108.418 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.5 p -58.19 -37.86 64.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 CA-C-O 118.698 -0.668 . . . . 0.0 111.373 173.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -63.82 -34.71 78.54 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 119.837 1.198 . . . . 0.0 112.39 177.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -70.88 -33.95 71.11 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 122.778 0.431 . . . . 0.0 111.917 174.335 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.93 -40.7 98.44 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.031 0.532 . . . . 0.0 111.946 172.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 13.9 mm -61.57 -46.51 96.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 CA-C-N 118.446 0.567 . . . . 0.0 110.282 176.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -59.9 -40.44 88.81 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.637 0.775 . . . . 0.0 112.02 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 58.9 t60 -60.72 -44.65 96.35 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.002 0.921 . . . . 0.0 112.976 170.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 56.7 mt -63.56 -42.79 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 O-C-N 121.258 -0.901 . . . . 0.0 110.858 176.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 71.3 mtp85 -66.0 -19.76 65.96 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 174.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -97.71 -41.86 7.89 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.398 1.079 . . . . 0.0 113.626 178.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.24 -26.02 11.24 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.974 1.31 . . . . 0.0 114.52 -171.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 . . . . . 0 CA--C 1.547 0.843 0 C-N-CA 125.33 1.452 . . . . 0.0 112.51 -173.424 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.9 mtmt . . . . . 0 N--CA 1.481 1.119 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -61.67 -31.58 86.53 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 124.267 3.311 . . . . 0.0 114.589 -176.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -88.66 100.03 12.79 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.293 0.637 . . . . 0.0 111.462 -170.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -95.6 150.49 20.28 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.165 1.786 . . . . 0.0 112.251 -177.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.7 t -76.92 135.92 66.96 Favored Pre-proline 0 CA--C 1.546 0.825 0 C-N-CA 124.765 1.226 . . . . 0.0 110.284 171.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -78.34 -8.52 16.25 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 123.918 3.079 . . . . 0.0 112.523 173.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -114.63 -24.39 8.79 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.538 1.135 . . . . 0.0 113.879 -171.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.4 p -143.58 -173.97 4.11 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 123.875 0.87 . . . . 0.0 113.344 172.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.1 p -75.41 0.31 17.39 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.554 1.541 . . . . 0.0 114.666 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -60.01 145.53 46.0 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.085 1.354 . . . . 0.0 114.046 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.28 152.87 37.87 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.104 1.361 . . . . 0.0 111.617 169.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.8 t -144.34 163.56 33.37 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.16 0.984 . . . . 0.0 112.796 173.345 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.78 0.62 57.39 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.481 1.512 . . . . 0.0 113.719 175.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.0 mt -128.29 128.49 68.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 125.504 1.522 . . . . 0.0 108.85 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -28.82 67.03 Favored 'General case' 0 N--CA 1.481 1.112 0 O-C-N 121.148 -0.97 . . . . 0.0 113.052 -179.627 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.12 -33.79 76.22 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 169.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -67.96 -38.71 83.08 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.407 -0.808 . . . . 0.0 111.289 172.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.7 tp -63.63 -45.07 91.89 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.157 -0.964 . . . . 0.0 111.907 171.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -55.58 -47.04 77.09 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.235 0.925 . . . . 0.0 111.712 175.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.97 -35.4 68.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 123.155 0.582 . . . . 0.0 112.205 -176.039 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -64.95 -38.01 89.54 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.264 1.026 . . . . 0.0 113.093 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.6 mt -61.92 -21.31 64.65 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 121.444 -0.785 . . . . 0.0 113.037 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.4 mtp85 . . . . . 0 N--CA 1.478 0.939 0 C-N-CA 124.606 1.162 . . . . 0.0 113.722 177.194 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.384 0 N-CA-C 113.018 0.748 . . . . 0.0 113.018 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 45.8 t -67.79 141.35 56.56 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-O 122.108 0.956 . . . . 0.0 111.735 171.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -84.16 -5.06 59.19 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.831 0.853 . . . . 0.0 111.851 173.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -120.04 -26.73 5.49 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.959 1.304 . . . . 0.0 113.488 -170.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.0 p -139.98 -176.14 4.48 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.375 1.07 . . . . 0.0 113.005 170.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.1 m -75.64 5.86 5.57 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.215 1.406 . . . . 0.0 114.097 177.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -62.18 147.04 48.99 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.558 1.143 . . . . 0.0 113.003 -178.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 82.8 p -141.2 156.24 45.95 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 125.273 1.429 . . . . 0.0 112.333 169.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.4 t -143.51 158.64 43.49 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.158 0.983 . . . . 0.0 112.088 172.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -84.32 -3.66 58.39 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.61 1.164 . . . . 0.0 112.476 170.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.4 t -116.51 130.27 56.66 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.569 1.548 . . . . 0.0 111.873 175.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -68.84 -32.0 71.38 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.437 1.495 . . . . 0.0 111.825 175.23 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.56 -41.25 66.04 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.241 0.924 . . . . 0.0 112.691 174.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 61.8 m170 -66.75 -31.49 72.17 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.449 -1.03 . . . . 0.0 112.449 176.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 59.0 tp -61.71 -44.22 97.35 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.036 0.834 . . . . 0.0 111.978 170.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.6 tttt -60.57 -47.39 86.4 Favored 'General case' 0 N--CA 1.464 0.236 0 O-C-N 121.589 -0.695 . . . . 0.0 110.343 175.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 96.8 t -60.49 -42.4 91.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 CA-C-N 118.325 0.511 . . . . 0.0 111.721 177.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -56.03 -46.76 78.74 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.009 0.924 . . . . 0.0 112.377 175.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 87.0 mt -70.13 -41.43 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 O-C-N 120.876 -1.14 . . . . 0.0 111.016 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -66.5 -18.05 65.15 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.242 1.417 . . . . 0.0 114.154 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 32.0 ptt85 -107.03 -41.54 5.14 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.529 1.131 . . . . 0.0 114.003 177.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.3 t -91.68 -43.71 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 CA-C-N 118.257 0.481 . . . . 0.0 111.537 -173.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -109.49 17.25 21.6 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.915 1.286 . . . . 0.0 114.183 -172.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.3 tmmm? . . . . . 0 N--CA 1.471 0.618 0 C-N-CA 125.769 1.628 . . . . 0.0 110.153 170.244 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 . . . . . 0 CA--C 1.543 0.709 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -131.78 151.86 51.37 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 169.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.5 t -72.93 132.86 44.01 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.971 1.708 . . . . 0.0 112.57 178.07 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.08 -3.99 53.78 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 177.723 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -105.13 -35.54 7.57 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.661 1.184 . . . . 0.0 113.155 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.9 p -132.93 1.64 3.6 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 -176.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt 57.11 16.34 2.88 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 126.288 1.835 . . . . 0.0 115.356 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -65.53 138.29 57.97 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.701 1.2 . . . . 0.0 110.522 170.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -89.46 143.7 26.62 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.119 0.967 . . . . 0.0 112.402 178.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -135.16 130.31 35.19 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.923 1.689 . . . . 0.0 111.279 -174.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.4 m -78.47 -7.01 56.98 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -174.312 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -143.97 145.41 32.22 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 125.329 1.452 . . . . 0.0 109.778 169.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.8 p -62.73 -40.76 89.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-O 118.728 -0.653 . . . . 0.0 110.589 174.264 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 42.6 mmtm -59.66 -37.06 77.71 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 119.839 1.2 . . . . 0.0 112.637 177.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -73.98 -29.48 62.0 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 176.143 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.5 tp -63.77 -41.05 98.05 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.676 -0.64 . . . . 0.0 111.597 169.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 16.3 mm -61.51 -44.5 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 O-C-N 121.717 -0.614 . . . . 0.0 110.271 174.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.28 -40.69 86.91 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.675 0.79 . . . . 0.0 111.933 178.001 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 52.2 t60 -62.27 -44.91 95.45 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.796 1.238 . . . . 0.0 112.985 170.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 49.1 mt -60.37 -42.79 92.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-N 119.094 0.861 . . . . 0.0 110.826 175.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 91.4 mtt-85 -67.21 -17.25 64.74 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 175.25 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -100.45 -41.17 7.11 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.521 1.128 . . . . 0.0 113.879 177.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.27 -27.07 10.75 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.197 1.399 . . . . 0.0 114.5 -171.073 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 . . . . . 0 CA--C 1.546 0.819 0 C-N-CA 125.032 1.333 . . . . 0.0 113.322 -172.465 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.1 mttp . . . . . 0 N--CA 1.48 1.05 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -62.63 -29.06 77.43 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 124.642 3.561 . . . . 0.0 115.475 -178.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -86.97 103.3 15.2 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.286 0.634 . . . . 0.0 111.163 -177.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -98.53 149.82 22.33 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 125.21 1.404 . . . . 0.0 111.992 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.8 t -76.38 136.23 68.58 Favored Pre-proline 0 CA--C 1.548 0.877 0 C-N-CA 124.273 1.029 . . . . 0.0 110.339 169.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -78.21 -11.05 16.29 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 123.982 3.121 . . . . 0.0 112.333 173.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -110.24 -27.05 9.29 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 -173.18 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.2 p -143.25 -176.07 4.78 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 177.4 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.6 p -73.91 -0.13 15.15 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.218 1.407 . . . . 0.0 114.619 -178.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -60.79 144.75 51.88 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.934 1.294 . . . . 0.0 113.82 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.47 155.73 40.86 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.559 1.144 . . . . 0.0 112.192 169.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.3 t -142.25 160.72 39.69 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.445 1.498 . . . . 0.0 112.441 178.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.83 -5.36 59.25 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.921 1.289 . . . . 0.0 113.69 170.156 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 61.2 mt -130.54 128.57 63.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 124.981 1.312 . . . . 0.0 110.219 -172.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -59.99 -39.15 84.74 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.923 0.889 . . . . 0.0 112.919 179.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.54 -33.83 74.5 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 174.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -76.27 -20.79 57.03 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.521 -0.737 . . . . 0.0 112.365 175.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.0 tp -78.39 -44.73 24.16 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.179 0.899 . . . . 0.0 110.748 166.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -53.76 -47.63 70.52 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.193 0.906 . . . . 0.0 111.777 176.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.8 -33.65 64.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 123.761 0.824 . . . . 0.0 112.339 -177.433 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -68.69 -39.08 80.69 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.63 1.172 . . . . 0.0 112.417 178.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 65.8 mt -64.84 -23.68 67.31 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.973 0.909 . . . . 0.0 112.679 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 . . . . . 0 N--CA 1.478 0.971 0 C-N-CA 124.027 0.931 . . . . 0.0 112.385 174.978 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.416 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.3 t -67.83 139.9 56.57 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 122.182 0.992 . . . . 0.0 111.582 171.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -83.22 -4.98 58.96 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.774 0.83 . . . . 0.0 111.776 173.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -119.61 -26.21 5.79 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.994 1.318 . . . . 0.0 113.434 -170.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.1 p -141.39 -175.69 4.45 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.492 1.117 . . . . 0.0 113.159 169.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.2 m -74.2 3.91 6.46 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.365 1.466 . . . . 0.0 114.081 176.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -61.2 147.2 45.04 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.233 1.013 . . . . 0.0 113.339 -178.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.3 p -144.0 149.46 36.75 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.386 1.474 . . . . 0.0 112.23 173.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.8 t -145.49 154.32 42.09 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.228 1.011 . . . . 0.0 112.025 174.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -83.83 -3.66 58.05 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.464 1.105 . . . . 0.0 113.132 176.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.5 m -124.31 127.43 47.61 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.419 1.488 . . . . 0.0 111.526 178.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -69.48 -33.98 73.68 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.334 1.053 . . . . 0.0 113.053 -174.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.15 -35.4 91.66 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 123.923 0.773 . . . . 0.0 113.049 173.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 63.5 m170 -72.26 -32.2 66.46 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.363 -1.08 . . . . 0.0 112.129 175.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.7 tp -62.42 -43.4 98.91 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.077 0.853 . . . . 0.0 111.271 169.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -57.71 -50.11 74.28 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.771 -0.581 . . . . 0.0 111.025 173.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 83.5 t -60.04 -40.25 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 CA-C-N 118.767 0.712 . . . . 0.0 111.93 177.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -56.97 -47.35 80.96 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.346 0.659 . . . . 0.0 111.676 175.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 84.2 mt -70.33 -40.31 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 120.836 -1.165 . . . . 0.0 111.304 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -68.62 -12.68 61.66 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.183 1.393 . . . . 0.0 114.318 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -113.87 -41.54 3.55 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 176.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.7 t -89.46 -47.49 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 123.016 0.527 . . . . 0.0 111.074 -174.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -104.21 21.46 16.49 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.431 1.492 . . . . 0.0 113.629 -176.071 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.2 tptt . . . . . 0 CA--C 1.544 0.72 0 C-N-CA 125.338 1.455 . . . . 0.0 111.607 178.251 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 43.2 p-80 -131.68 147.4 52.51 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.888 1.275 . . . . 0.0 111.673 167.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 53.9 t -68.11 130.92 44.38 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.194 1.398 . . . . 0.0 112.064 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.64 -2.35 38.67 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 176.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -112.18 -36.14 5.42 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.643 1.177 . . . . 0.0 113.194 177.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.274 15.5 p -131.41 9.32 4.71 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 116.389 1.996 . . . . 0.0 116.389 -175.579 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 91.4 mttt 56.8 6.76 0.33 Allowed 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 127.888 2.475 . . . . 0.0 116.546 174.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.4 mttp -61.25 134.05 56.57 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 127.471 2.308 . . . . 0.0 111.238 172.362 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -82.82 140.68 32.81 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.56 0.744 . . . . 0.0 111.827 176.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -126.71 131.12 51.44 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.179 1.392 . . . . 0.0 111.363 -177.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.8 m -69.67 -13.41 62.29 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.959 1.304 . . . . 0.0 114.121 -173.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -148.99 141.84 24.65 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 125.358 1.463 . . . . 0.0 109.635 169.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.8 p -54.64 -38.44 42.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-O 118.694 -0.67 . . . . 0.0 111.547 171.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -60.58 -37.52 81.59 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.853 1.206 . . . . 0.0 112.174 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -76.45 -27.63 56.25 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 122.846 0.458 . . . . 0.0 112.196 175.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.5 tp -64.0 -41.06 97.61 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.605 -0.684 . . . . 0.0 111.522 169.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 19.3 mm -60.38 -44.92 97.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 CA-C-N 118.537 0.608 . . . . 0.0 110.112 175.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -42.04 87.57 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.819 0.847 . . . . 0.0 112.029 177.432 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -62.3 -44.21 97.03 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.813 1.245 . . . . 0.0 113.034 171.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 57.8 mt -63.4 -42.28 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 O-C-N 121.288 -0.882 . . . . 0.0 110.83 176.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -62.33 -23.07 66.55 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 173.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -97.22 -44.45 6.92 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.466 1.106 . . . . 0.0 113.869 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -105.72 -24.85 12.43 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.236 1.414 . . . . 0.0 114.235 -170.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 61.1 m-70 . . . . . 0 CA--C 1.548 0.868 0 C-N-CA 125.344 1.458 . . . . 0.0 112.424 -175.103 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.0 mttt . . . . . 0 N--CA 1.478 0.965 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -61.66 -29.48 83.95 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 124.543 3.496 . . . . 0.0 115.328 -175.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -86.09 102.41 13.82 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.296 0.638 . . . . 0.0 111.064 -177.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -98.06 149.81 22.09 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.522 1.529 . . . . 0.0 111.867 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.7 t -76.73 135.94 67.61 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 124.365 1.066 . . . . 0.0 110.323 170.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -77.88 -9.83 16.86 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 123.801 3.001 . . . . 0.0 112.45 174.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -114.43 -24.71 8.72 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -172.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.5 p -142.37 -175.53 4.48 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 174.06 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.4 p -74.49 0.14 15.7 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.399 1.479 . . . . 0.0 114.64 -178.271 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -59.95 145.14 47.13 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.974 1.309 . . . . 0.0 114.042 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.78 155.01 39.39 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.665 1.186 . . . . 0.0 112.139 169.349 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.6 t -147.41 167.21 24.94 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.837 1.255 . . . . 0.0 112.725 174.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.61 -2.49 58.65 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.246 1.419 . . . . 0.0 114.396 176.498 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 63.9 mt -132.24 133.84 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 125.233 1.413 . . . . 0.0 110.31 -171.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -63.1 -39.36 94.47 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.156 0.982 . . . . 0.0 112.881 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.09 -33.85 75.2 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.025 0.93 . . . . 0.0 113.127 175.045 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -68.52 -38.49 80.94 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.469 -0.769 . . . . 0.0 111.396 174.05 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.1 tp -64.99 -45.25 86.4 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.247 -0.908 . . . . 0.0 111.495 171.476 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -54.41 -47.25 72.99 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.248 0.931 . . . . 0.0 111.765 175.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.1 -35.18 67.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-O 121.102 0.477 . . . . 0.0 112.225 -176.114 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -65.91 -41.52 91.33 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.073 0.949 . . . . 0.0 112.582 177.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.7 mt -60.47 -21.91 62.91 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.339 1.056 . . . . 0.0 113.263 -178.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 . . . . . 0 N--CA 1.474 0.756 0 C-N-CA 124.864 1.266 . . . . 0.0 113.235 178.62 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.506 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.2 t -67.45 143.04 56.45 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 122.188 0.994 . . . . 0.0 111.727 171.145 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -82.45 -5.53 58.74 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.916 0.886 . . . . 0.0 112.053 175.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -121.62 -26.67 4.87 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.719 1.208 . . . . 0.0 113.674 -170.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.3 p -139.3 -176.61 4.59 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.427 1.091 . . . . 0.0 113.156 171.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.5 p -76.26 5.38 7.07 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.636 1.574 . . . . 0.0 114.363 176.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -60.22 146.35 43.94 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 123.945 0.898 . . . . 0.0 112.691 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 79.6 p -138.3 152.56 48.63 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 125.006 1.322 . . . . 0.0 112.064 170.131 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 10.8 t -141.3 153.37 45.14 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.033 0.933 . . . . 0.0 112.581 -174.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -90.45 0.8 57.16 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.118 1.367 . . . . 0.0 113.08 172.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.9 t -136.67 124.29 22.32 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.658 1.583 . . . . 0.0 111.186 174.021 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.3 pttt -62.27 -32.34 73.04 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.541 1.136 . . . . 0.0 112.501 172.42 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.85 -30.91 65.24 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 123.884 0.754 . . . . 0.0 113.361 176.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -78.09 -33.28 50.8 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.447 1.124 . . . . 0.0 112.147 169.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 66.4 tp -60.46 -38.83 85.45 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 121.461 -0.775 . . . . 0.0 111.894 172.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -55.47 -50.73 69.11 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 121.735 -0.603 . . . . 0.0 111.16 169.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.8 t -61.54 -39.12 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 122.864 0.465 . . . . 0.0 111.729 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -57.42 -45.99 84.02 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.388 0.675 . . . . 0.0 111.808 174.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.1 mt -70.34 -40.87 78.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 O-C-N 121.018 -1.051 . . . . 0.0 110.983 177.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -69.03 -13.59 62.54 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.345 1.458 . . . . 0.0 114.166 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -110.12 -41.74 4.36 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 175.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.5 t -90.25 -46.29 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 CA-C-N 118.301 0.501 . . . . 0.0 111.285 -173.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -105.21 19.05 21.27 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.104 1.362 . . . . 0.0 114.275 -173.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.472 0.66 0 C-N-CA 125.605 1.562 . . . . 0.0 110.943 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 . . . . . 0 N--CA 1.471 0.603 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 42.7 p-80 -134.93 145.74 48.48 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.144 0.977 . . . . 0.0 111.708 167.131 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 41.4 t -75.29 128.24 34.97 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.432 1.493 . . . . 0.0 110.158 170.144 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -12.59 59.96 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 178.558 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -92.1 -33.86 14.59 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -176.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 29.3 p -130.57 2.27 4.53 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 115.25 1.574 . . . . 0.0 115.25 -178.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp 59.28 17.62 5.93 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 126.494 1.918 . . . . 0.0 114.854 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -69.59 134.63 49.01 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.076 1.35 . . . . 0.0 110.437 172.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -87.56 143.74 27.05 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.607 0.763 . . . . 0.0 111.9 176.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -127.52 137.22 52.57 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.29 1.436 . . . . 0.0 111.596 -175.151 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 36.4 m -88.57 -8.71 54.28 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.46 1.104 . . . . 0.0 113.64 -178.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -143.3 135.44 26.97 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 125.286 1.434 . . . . 0.0 109.802 173.325 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 10.0 p -59.85 -36.67 67.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-O 119.006 -0.521 . . . . 0.0 111.116 172.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -63.07 -34.52 77.76 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.454 1.024 . . . . 0.0 112.442 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -74.83 -32.01 61.84 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 122.965 0.506 . . . . 0.0 112.136 175.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.2 tp -62.34 -39.7 93.94 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.405 0.682 . . . . 0.0 112.004 172.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 16.9 mm -60.81 -51.05 77.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 118.458 0.572 . . . . 0.0 110.225 177.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.2 tttm -58.06 -43.04 86.69 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 176.06 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -56.48 -45.46 80.93 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.415 0.686 . . . . 0.0 112.137 174.202 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 66.9 mt -65.84 -45.36 91.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 O-C-N 121.493 -0.754 . . . . 0.0 110.936 176.112 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -64.46 -26.07 68.28 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 178.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -97.82 -37.73 9.73 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.482 1.113 . . . . 0.0 113.96 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.35 -23.16 12.32 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -173.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 . . . . . 0 CA--C 1.547 0.861 0 C-N-CA 125.583 1.553 . . . . 0.0 112.765 -175.912 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.4 mttt . . . . . 0 CA--C 1.544 0.73 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.491 ' HD2' ' HA ' ' A' ' 20' ' ' ALA . 53.0 Cg_endo -71.78 -27.88 17.51 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 124.268 3.312 . . . . 0.0 115.27 -177.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -82.65 98.38 9.0 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.407 0.549 . . . . 0.0 110.886 -175.669 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -92.05 148.64 22.03 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 126.076 1.75 . . . . 0.0 112.249 -178.094 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.1 t -76.73 133.45 70.17 Favored Pre-proline 0 CA--C 1.548 0.867 0 C-N-CA 124.365 1.066 . . . . 0.0 109.863 169.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -77.74 -6.65 16.22 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 123.982 3.122 . . . . 0.0 112.217 172.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -113.75 -28.24 7.51 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.815 1.246 . . . . 0.0 113.246 -170.258 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.3 p -143.3 -173.31 3.9 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.054 0.941 . . . . 0.0 113.001 174.207 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.0 p -75.4 0.22 17.7 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.317 1.447 . . . . 0.0 114.787 -177.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -61.17 146.09 48.81 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.157 1.383 . . . . 0.0 114.227 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.91 153.09 36.09 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.11 1.364 . . . . 0.0 111.872 169.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.8 t -146.15 153.09 40.27 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 174.049 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.491 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -62.45 -14.45 41.14 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.981 1.712 . . . . 0.0 115.252 168.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.9 mt -126.07 133.43 68.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.234 1.014 . . . . 0.0 111.381 -169.604 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -61.01 -43.36 99.0 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.108 1.363 . . . . 0.0 112.68 176.322 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.4 -35.28 73.66 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.66 0.784 . . . . 0.0 113.092 175.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -68.2 -39.33 82.46 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.637 -0.664 . . . . 0.0 111.635 174.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.3 tp -63.93 -45.74 87.91 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.15 -0.969 . . . . 0.0 111.478 171.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -56.0 -45.27 79.1 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 118.896 0.771 . . . . 0.0 111.748 177.661 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.22 -36.38 67.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 123.162 0.585 . . . . 0.0 112.178 -177.055 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -64.01 -41.69 97.39 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.534 1.134 . . . . 0.0 112.88 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.7 mt -59.72 -23.99 63.62 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.893 0.877 . . . . 0.0 112.969 -178.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 . . . . . 0 N--CA 1.473 0.677 0 C-N-CA 124.582 1.153 . . . . 0.0 113.138 -178.037 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.492 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.6 t -66.89 142.97 57.12 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 122.117 0.96 . . . . 0.0 111.763 171.356 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -83.11 -5.71 59.21 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.768 0.827 . . . . 0.0 111.937 175.054 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -120.42 -26.95 5.29 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.547 1.139 . . . . 0.0 113.498 -171.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.1 p -138.94 -178.07 5.16 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.171 0.989 . . . . 0.0 113.12 171.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.6 p -75.43 5.42 5.83 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.495 1.518 . . . . 0.0 114.293 177.053 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -62.07 148.25 44.79 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 124.916 1.286 . . . . 0.0 112.966 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.9 p -138.85 151.47 47.03 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 125.088 1.355 . . . . 0.0 111.89 170.194 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.9 t -142.41 152.75 43.11 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.201 1.001 . . . . 0.0 112.012 178.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -85.02 2.46 43.1 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.952 1.301 . . . . 0.0 113.326 177.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.9 t -136.32 130.49 32.99 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.642 1.577 . . . . 0.0 111.368 172.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.2 pttt -64.9 -31.69 73.04 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 125.01 1.324 . . . . 0.0 112.667 173.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.4 -38.11 62.48 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 123.541 0.591 . . . . 0.0 112.653 176.024 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 63.6 m170 -71.65 -33.12 68.64 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.312 -1.11 . . . . 0.0 112.12 171.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.0 tp -63.61 -40.54 97.16 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.343 -0.848 . . . . 0.0 112.299 170.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -57.08 -47.73 80.3 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 121.588 -0.695 . . . . 0.0 110.697 171.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 75.5 t -61.0 -40.75 86.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 CA-C-N 118.577 0.626 . . . . 0.0 111.859 177.042 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -56.87 -46.12 82.04 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.512 0.725 . . . . 0.0 112.002 174.547 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 94.4 mt -71.08 -41.59 76.27 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 O-C-N 120.782 -1.199 . . . . 0.0 111.238 178.315 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -64.53 -20.4 66.2 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.339 1.455 . . . . 0.0 113.912 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.8 ptt180 -106.83 -40.69 5.42 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 179.436 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.4 t -91.47 -44.81 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-N 118.268 0.485 . . . . 0.0 111.432 -174.608 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -111.67 18.86 18.62 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 -170.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.4 tmmm? . . . . . 0 N--CA 1.47 0.553 0 C-N-CA 125.635 1.574 . . . . 0.0 110.604 177.166 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 . . . . . 0 CA--C 1.538 0.487 0 N-CA-C 111.55 0.204 . . . . 0.0 111.55 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 25.4 p-80 -131.48 148.75 52.67 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.81 0.844 . . . . 0.0 112.568 171.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 53.7 t -69.28 135.82 51.02 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.975 1.31 . . . . 0.0 113.204 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -23.92 66.1 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.73 1.612 . . . . 0.0 113.176 176.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -108.89 -32.53 7.25 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 -168.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.1 p -130.9 2.59 4.39 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 115.397 1.629 . . . . 0.0 115.397 -178.034 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp 57.61 13.81 2.09 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 126.503 1.921 . . . . 0.0 115.38 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 41.6 tttp -61.03 135.35 57.76 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.266 1.426 . . . . 0.0 110.385 172.246 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -89.64 142.68 27.46 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.809 0.844 . . . . 0.0 112.448 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -133.19 129.63 38.04 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.036 1.734 . . . . 0.0 111.753 -172.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 26.7 m -78.86 -12.42 60.03 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 114.109 1.152 . . . . 0.0 114.109 -176.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -138.38 136.11 36.0 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.463 1.505 . . . . 0.0 109.588 171.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.3 p -59.58 -36.73 66.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 118.92 -0.562 . . . . 0.0 111.482 173.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -62.81 -36.37 82.96 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.652 1.115 . . . . 0.0 111.991 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -72.73 -31.35 64.89 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 175.132 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.9 tp -63.05 -40.44 97.7 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 118.31 0.505 . . . . 0.0 112.008 171.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 16.6 mm -61.08 -46.56 96.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 CA-C-N 118.498 0.59 . . . . 0.0 110.206 176.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -59.67 -41.2 90.13 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.425 0.69 . . . . 0.0 111.983 177.345 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 63.9 t60 -60.19 -44.8 94.8 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.903 0.881 . . . . 0.0 112.822 171.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 63.5 mt -64.08 -43.36 97.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 O-C-N 121.228 -0.92 . . . . 0.0 110.914 176.381 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -64.29 -23.38 67.28 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 175.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -97.0 -42.67 7.79 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.524 1.13 . . . . 0.0 113.482 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -104.43 -24.86 13.0 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.704 1.202 . . . . 0.0 114.19 -171.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 . . . . . 0 CA--C 1.547 0.849 0 C-N-CA 125.12 1.368 . . . . 0.0 113.257 -172.15 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.6 mttt . . . . . 0 CA--C 1.547 0.853 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.502 ' HD2' ' HA ' ' A' ' 20' ' ' ALA . 38.0 Cg_endo -67.27 -30.88 36.64 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 124.215 3.277 . . . . 0.0 115.244 -177.248 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -81.51 106.58 13.57 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.116 0.566 . . . . 0.0 110.687 -175.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -99.17 149.41 23.1 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.267 1.427 . . . . 0.0 112.294 -175.556 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.2 t -76.26 133.06 72.12 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 123.688 0.795 . . . . 0.0 109.99 170.062 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -77.49 -6.98 16.68 Favored 'Trans proline' 0 CA--C 1.542 0.918 0 C-N-CA 123.83 3.02 . . . . 0.0 112.226 172.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -113.49 -28.67 7.45 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.861 1.265 . . . . 0.0 113.128 -170.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.4 p -143.54 -172.94 3.82 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.988 0.915 . . . . 0.0 113.14 175.008 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.9 p -76.0 0.74 17.5 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.367 1.467 . . . . 0.0 114.681 -177.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -61.16 147.03 45.47 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.169 1.388 . . . . 0.0 114.126 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.24 152.9 37.97 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.291 1.436 . . . . 0.0 111.739 172.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.6 t -147.61 152.72 38.37 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 171.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.502 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -62.11 -14.09 33.3 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 115.833 1.79 . . . . 0.0 115.833 168.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 49.4 mt -127.29 135.06 64.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 124.456 1.102 . . . . 0.0 111.195 -169.571 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -61.69 -42.57 99.11 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.349 1.06 . . . . 0.0 112.675 176.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.62 -35.99 75.45 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.821 0.848 . . . . 0.0 112.785 175.333 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -70.5 -26.55 63.65 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.646 -0.658 . . . . 0.0 112.477 175.328 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.7 tp -74.93 -45.62 41.27 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.342 0.974 . . . . 0.0 111.043 168.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -54.83 -45.36 74.45 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 118.869 0.759 . . . . 0.0 111.732 177.486 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.44 -35.32 66.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 123.611 0.764 . . . . 0.0 112.375 -176.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -65.61 -41.29 92.89 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.583 1.153 . . . . 0.0 112.668 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.8 mt -59.81 -24.8 64.44 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.807 0.843 . . . . 0.0 112.601 -178.218 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 . . . . . 0 N--CA 1.471 0.603 0 C-N-CA 124.888 1.275 . . . . 0.0 112.817 178.885 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.463 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.8 t -68.93 140.3 55.1 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 122.223 1.011 . . . . 0.0 111.738 172.275 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -83.62 -5.3 59.14 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.867 0.867 . . . . 0.0 111.805 173.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -119.86 -26.72 5.56 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.986 1.314 . . . . 0.0 113.475 -170.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 29.2 p -139.88 -176.55 4.62 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.097 0.959 . . . . 0.0 113.214 170.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.1 m -73.42 3.65 5.73 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.281 1.432 . . . . 0.0 113.968 176.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -60.79 145.08 51.08 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.279 1.032 . . . . 0.0 113.212 -179.083 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 34.2 p -143.7 150.52 38.8 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 125.602 1.561 . . . . 0.0 112.033 172.054 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.7 t -145.36 164.57 31.06 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.807 1.243 . . . . 0.0 111.584 175.322 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.4 mp -91.77 12.03 22.7 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.193 1.397 . . . . 0.0 113.322 170.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.9 t -132.26 125.73 31.74 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.179 1.391 . . . . 0.0 112.599 172.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.2 pttt -61.36 -34.11 74.75 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.37 1.468 . . . . 0.0 112.039 169.211 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.44 -42.6 81.28 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 123.951 0.786 . . . . 0.0 112.489 176.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -70.23 -34.28 72.69 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.579 -0.953 . . . . 0.0 112.157 174.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 61.4 tp -58.9 -43.09 90.95 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 118.954 0.797 . . . . 0.0 111.866 170.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -59.83 -48.79 80.26 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.692 -0.63 . . . . 0.0 110.979 175.103 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 89.4 t -61.91 -39.37 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 122.891 0.477 . . . . 0.0 111.692 178.174 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -58.17 -45.02 88.24 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.819 0.848 . . . . 0.0 112.031 175.302 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 88.3 mt -70.56 -40.73 77.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 O-C-N 120.976 -1.078 . . . . 0.0 111.05 177.555 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -67.12 -18.51 65.33 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.926 1.29 . . . . 0.0 113.987 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -105.2 -42.04 5.39 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.547 1.139 . . . . 0.0 113.905 178.187 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 23.7 t -92.36 -44.29 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 CA-C-N 118.188 0.449 . . . . 0.0 111.647 -173.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -110.02 22.09 16.02 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.135 1.374 . . . . 0.0 113.671 -172.05 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.5 tmmm? . . . . . 0 N--CA 1.469 0.481 0 C-N-CA 125.803 1.641 . . . . 0.0 110.317 172.831 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 . . . . . 0 CA--C 1.544 0.737 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 30.2 p-80 -140.06 153.69 46.85 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 170.26 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.0 t -75.5 129.98 38.15 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.101 1.76 . . . . 0.0 112.24 178.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.0 -10.97 59.72 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 177.232 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -98.23 -34.49 10.7 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -178.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 23.7 p -131.19 3.34 4.32 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 -177.163 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt 58.61 14.19 2.97 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 126.587 1.955 . . . . 0.0 115.062 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -67.31 137.67 56.23 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.865 1.266 . . . . 0.0 110.795 174.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -86.39 144.79 27.15 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.07 0.948 . . . . 0.0 112.406 176.018 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -132.81 143.78 49.78 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.807 2.043 . . . . 0.0 110.978 -175.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 48.8 m -95.76 1.57 53.39 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -175.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -152.06 145.2 24.6 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 125.302 1.441 . . . . 0.0 109.775 168.202 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.6 p -63.68 -39.14 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 CA-C-O 118.773 -0.632 . . . . 0.0 111.995 176.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -65.92 -34.02 77.17 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 120.01 1.277 . . . . 0.0 111.548 179.037 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -70.44 -33.06 70.87 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 173.37 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.34 -40.74 97.36 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.777 -0.577 . . . . 0.0 111.906 170.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 15.7 mm -62.32 -45.05 99.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 O-C-N 121.581 -0.699 . . . . 0.0 110.61 175.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -59.45 -40.88 88.29 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.241 0.616 . . . . 0.0 111.778 177.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -60.07 -46.61 88.98 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.859 0.864 . . . . 0.0 112.874 170.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 57.9 mt -61.75 -43.84 97.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-N 118.923 0.783 . . . . 0.0 110.768 177.1 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -63.09 -23.27 67.36 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 176.125 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -97.08 -43.88 7.22 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.456 1.102 . . . . 0.0 113.557 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -103.27 -25.93 13.15 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.018 1.327 . . . . 0.0 114.226 -171.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 . . . . . 0 CA--C 1.549 0.912 0 C-N-CA 125.844 1.658 . . . . 0.0 111.746 -175.805 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.9 mtmt . . . . . 0 N--CA 1.48 1.049 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -60.92 -28.4 86.28 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 124.929 3.753 . . . . 0.0 115.478 -173.508 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -87.29 103.33 15.36 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.321 0.648 . . . . 0.0 111.068 -178.122 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -100.11 149.81 23.13 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.569 1.548 . . . . 0.0 112.002 -178.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.1 t -75.71 136.91 70.41 Favored Pre-proline 0 CA--C 1.547 0.841 0 C-N-CA 124.294 1.038 . . . . 0.0 110.621 170.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -77.89 -10.61 16.78 Favored 'Trans proline' 0 CA--C 1.541 0.843 0 C-N-CA 123.842 3.028 . . . . 0.0 112.465 174.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -112.22 -26.65 8.69 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -173.249 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.7 p -142.05 -176.26 4.73 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 176.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.9 p -73.9 0.45 13.35 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.339 1.455 . . . . 0.0 114.532 -178.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -60.2 144.83 49.15 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.795 1.238 . . . . 0.0 113.81 178.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.43 156.13 40.89 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.711 1.204 . . . . 0.0 112.091 169.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.4 t -146.67 164.74 31.72 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.816 1.246 . . . . 0.0 112.667 173.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.21 -3.86 57.83 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.212 1.405 . . . . 0.0 114.442 173.16 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 61.4 mt -130.96 134.12 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.131 1.373 . . . . 0.0 109.97 -171.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -66.35 -37.95 86.49 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.405 -0.81 . . . . 0.0 112.914 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.47 -35.75 70.58 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.444 0.698 . . . . 0.0 112.701 175.334 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -68.56 -38.89 81.13 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.63 0.772 . . . . 0.0 111.872 173.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.8 tp -65.2 -45.61 84.1 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.054 -1.029 . . . . 0.0 111.826 171.385 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -55.05 -45.43 75.29 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.96 0.8 . . . . 0.0 111.34 176.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.5 -36.99 68.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 123.219 0.608 . . . . 0.0 112.396 -177.089 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -62.67 -41.21 98.95 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.224 1.01 . . . . 0.0 112.789 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 65.4 mt -58.22 -26.69 63.14 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.938 0.895 . . . . 0.0 112.805 -177.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.9 mtp85 . . . . . 0 N--CA 1.474 0.774 0 C-N-CA 125.186 1.395 . . . . 0.0 113.635 -179.298 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.597 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.8 t -67.94 143.73 55.52 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 122.252 1.025 . . . . 0.0 112.118 170.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -83.43 -7.24 59.59 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.004 0.922 . . . . 0.0 112.003 175.379 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -118.64 -27.25 5.93 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.595 1.158 . . . . 0.0 113.463 -172.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.1 p -139.56 -179.33 5.84 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 173.497 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.8 m -73.31 5.02 3.92 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.271 1.428 . . . . 0.0 114.086 177.002 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 94.1 t80 -60.87 146.61 45.89 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 124.165 0.986 . . . . 0.0 112.593 178.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.4 p -138.9 152.82 48.08 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 124.975 1.31 . . . . 0.0 111.937 170.197 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 10.5 t -140.55 153.86 46.3 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.344 1.057 . . . . 0.0 111.914 -176.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -88.08 0.39 56.04 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.091 1.356 . . . . 0.0 112.505 171.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.1 t -131.09 122.79 27.33 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.852 1.661 . . . . 0.0 111.575 174.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -60.04 -31.37 69.91 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.748 1.219 . . . . 0.0 112.947 171.071 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -77.44 -37.71 30.59 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.241 0.924 . . . . 0.0 112.818 -178.385 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -72.58 -33.38 66.71 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 118.875 1.337 . . . . 0.0 111.143 172.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.2 tp -57.34 -37.51 72.67 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.188 -0.945 . . . . 0.0 112.415 173.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 65.6 tttt -60.28 -49.18 78.61 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.455 -0.778 . . . . 0.0 110.408 171.569 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.0 t -59.11 -42.52 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 CA-C-N 118.759 0.709 . . . . 0.0 112.071 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -54.14 -42.65 69.78 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.978 0.911 . . . . 0.0 111.936 173.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 81.4 mt -71.6 -40.36 70.98 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 O-C-N 120.877 -1.139 . . . . 0.0 111.15 174.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -63.55 -20.26 65.48 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.621 1.169 . . . . 0.0 114.097 178.071 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -108.82 -39.42 5.34 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.801 1.24 . . . . 0.0 113.906 -177.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.3 t -93.63 -42.57 13.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-N 118.049 0.386 . . . . 0.0 111.744 -175.185 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -116.34 18.29 15.27 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 115.213 1.56 . . . . 0.0 115.213 -169.518 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.7 tmmm? . . . . . 0 N--CA 1.472 0.664 0 C-N-CA 125.043 1.337 . . . . 0.0 111.523 -177.428 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 . . . . . 0 CA--C 1.538 0.511 0 N-CA-C 110.711 -0.107 . . . . 0.0 110.711 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 43.9 p-80 -140.54 148.8 41.57 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.265 -0.897 . . . . 0.0 113.264 169.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 51.7 t -77.69 125.58 29.55 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.369 1.468 . . . . 0.0 109.95 169.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.45 -18.48 59.87 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 176.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -85.52 -34.6 21.51 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.91 0.884 . . . . 0.0 113.365 -174.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.0 p -128.69 3.98 5.5 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm 60.73 15.68 6.05 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 126.832 2.053 . . . . 0.0 115.103 177.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -69.99 140.79 52.98 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.159 1.784 . . . . 0.0 111.365 175.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -95.42 146.16 24.61 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.251 1.021 . . . . 0.0 111.431 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -134.22 130.09 36.67 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.502 1.521 . . . . 0.0 112.193 -171.068 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 55.4 p -81.97 -14.47 55.99 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.487 1.515 . . . . 0.0 113.922 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -137.47 134.69 36.07 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 125.524 1.53 . . . . 0.0 109.976 172.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.6 p -60.27 -35.98 65.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 118.956 -0.545 . . . . 0.0 111.481 173.133 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -62.24 -37.53 85.77 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 119.531 1.06 . . . . 0.0 111.892 179.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -72.34 -30.81 65.09 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 174.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.9 tp -62.1 -42.63 99.41 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 118.782 0.719 . . . . 0.0 111.565 170.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 12.8 mm -61.86 -48.07 90.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-N 118.722 0.692 . . . . 0.0 110.486 177.329 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -59.03 -40.79 86.1 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.901 0.88 . . . . 0.0 112.113 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -61.61 -46.32 90.31 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.203 1.001 . . . . 0.0 112.924 171.526 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 58.9 mt -62.52 -42.48 95.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 CA-C-N 119.121 0.873 . . . . 0.0 110.726 176.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -63.19 -24.52 67.92 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 175.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -97.27 -45.1 6.63 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.727 1.211 . . . . 0.0 113.421 -179.255 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -99.73 -26.08 14.17 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.043 1.337 . . . . 0.0 114.024 -172.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 59.2 m-70 . . . . . 0 CA--C 1.546 0.799 0 C-N-CA 125.133 1.373 . . . . 0.0 113.215 -170.688 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.0 mttt . . . . . 0 CA--C 1.547 0.854 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.483 ' HD2' ' HA ' ' A' ' 20' ' ' ALA . 57.0 Cg_endo -72.99 -30.54 10.8 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 124.199 3.266 . . . . 0.0 115.228 -178.418 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -81.96 104.25 12.18 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.066 0.546 . . . . 0.0 110.875 -173.66 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -93.11 149.68 21.05 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.03 1.332 . . . . 0.0 112.351 -174.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.4 t -77.74 132.32 68.59 Favored Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 123.743 0.817 . . . . 0.0 109.537 169.489 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -77.24 -6.11 16.23 Favored 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 123.821 3.014 . . . . 0.0 112.278 173.227 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -115.34 -27.67 7.15 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.844 1.257 . . . . 0.0 113.359 -169.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.8 p -144.5 -174.6 4.36 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.85 0.86 . . . . 0.0 113.234 174.37 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.0 m -72.63 -0.08 12.01 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.344 1.458 . . . . 0.0 114.617 -177.561 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -62.34 145.67 53.23 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.955 1.302 . . . . 0.0 113.871 -178.485 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -144.47 149.61 36.27 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.574 1.55 . . . . 0.0 110.878 172.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.4 p -143.92 143.2 31.16 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.619 1.167 . . . . 0.0 113.37 -174.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.483 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -67.3 -13.72 62.25 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 116.209 1.929 . . . . 0.0 116.209 171.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 65.8 mt -137.12 131.29 45.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.091 1.357 . . . . 0.0 109.802 -169.202 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -62.42 -35.71 80.1 Favored 'General case' 0 N--CA 1.479 0.975 0 O-C-N 121.314 -0.866 . . . . 0.0 113.171 178.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.13 -35.54 71.65 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.039 0.836 . . . . 0.0 112.61 172.59 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 -74.75 -23.36 58.54 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.643 0.777 . . . . 0.0 112.452 175.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.4 tp -76.28 -46.65 26.92 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.299 -0.876 . . . . 0.0 111.097 167.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -54.08 -44.43 71.18 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.794 0.838 . . . . 0.0 111.413 178.126 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.91 -34.96 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 123.687 0.795 . . . . 0.0 112.484 -178.219 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -66.92 -39.89 87.5 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.691 1.196 . . . . 0.0 112.748 -179.08 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.7 mt -60.05 -22.67 62.97 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.991 0.917 . . . . 0.0 113.189 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 . . . . . 0 N--CA 1.475 0.813 0 C-N-CA 125.271 1.428 . . . . 0.0 114.026 -177.675 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.444 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.5 t -68.52 141.3 55.58 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 122.013 0.911 . . . . 0.0 111.683 172.064 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -84.54 -4.84 59.18 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.822 0.849 . . . . 0.0 111.795 173.277 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -119.87 -26.79 5.54 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.984 1.314 . . . . 0.0 113.458 -170.248 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.9 p -139.1 -175.52 4.19 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.423 1.089 . . . . 0.0 112.896 169.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.0 p -76.52 5.12 7.84 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.496 1.518 . . . . 0.0 114.299 177.235 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -61.67 146.79 48.02 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.807 1.243 . . . . 0.0 113.253 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 79.7 p -140.59 155.85 46.45 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.355 1.462 . . . . 0.0 112.174 169.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.5 t -146.11 157.08 43.83 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.93 0.892 . . . . 0.0 112.408 177.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.33 -3.6 58.89 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.416 1.486 . . . . 0.0 114.098 179.126 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.3 m -134.01 134.48 42.5 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.407 1.483 . . . . 0.0 111.81 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -69.65 -34.72 74.41 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.474 1.11 . . . . 0.0 112.901 -175.252 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -66.59 -32.76 82.47 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 123.737 0.684 . . . . 0.0 113.253 173.359 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -74.16 -32.48 63.13 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.294 -1.121 . . . . 0.0 112.091 174.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.62 -43.99 97.83 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.032 0.833 . . . . 0.0 110.987 169.199 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -56.17 -50.77 70.23 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 118.886 -0.578 . . . . 0.0 111.055 173.225 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.8 t -60.1 -39.93 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-N 118.775 0.716 . . . . 0.0 111.886 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -57.31 -47.01 82.62 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.257 0.623 . . . . 0.0 112.083 175.34 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.3 mt -70.29 -40.63 78.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 O-C-N 120.909 -1.119 . . . . 0.0 110.98 178.129 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -69.0 -12.46 61.7 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.649 1.58 . . . . 0.0 114.403 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -111.65 -40.69 4.25 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 174.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.8 t -90.83 -46.68 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-N 118.329 0.513 . . . . 0.0 111.384 -173.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -108.32 18.84 20.59 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.989 1.316 . . . . 0.0 114.385 -173.047 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.471 0.576 0 C-N-CA 125.479 1.511 . . . . 0.0 111.021 -176.161 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 44.1 mm-40 . . . . . 0 N--CA 1.473 0.724 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 42.6 p-80 -131.72 145.13 51.46 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 173.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.1 t -76.02 124.08 26.8 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.543 1.537 . . . . 0.0 109.007 168.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.83 -14.27 59.62 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 175.713 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -89.32 -36.34 15.6 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.144 0.978 . . . . 0.0 113.001 -177.092 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.269 16.7 p -129.86 10.62 5.53 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 116.1 1.889 . . . . 0.0 116.1 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.0 mmtt 59.54 13.23 3.2 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 127.498 2.319 . . . . 0.0 115.212 172.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 35.8 mttp -72.76 141.55 48.12 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 127.193 2.197 . . . . 0.0 111.473 176.419 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 63.0 mtpt -96.64 142.6 28.49 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.144 0.978 . . . . 0.0 111.752 175.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -125.9 141.86 51.78 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.911 1.684 . . . . 0.0 113.039 -169.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 49.2 p -75.73 -20.49 58.29 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.306 1.842 . . . . 0.0 114.724 -172.351 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -151.67 143.86 23.98 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.887 2.075 . . . . 0.0 107.676 178.394 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.6 p -56.97 -37.09 52.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 O-C-N 121.56 -0.713 . . . . 0.0 111.25 171.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -62.84 -34.95 78.41 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.485 1.039 . . . . 0.0 112.269 178.324 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -72.61 -34.87 67.66 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.355 0.662 . . . . 0.0 111.622 175.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.3 tp -61.55 -40.75 95.82 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.448 0.699 . . . . 0.0 112.015 173.124 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 13.3 mm -61.56 -46.58 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 O-C-N 121.695 -0.628 . . . . 0.0 110.407 177.206 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -61.75 -40.75 96.22 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.263 0.625 . . . . 0.0 111.887 178.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 64.6 t60 -58.59 -45.1 89.81 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.881 0.872 . . . . 0.0 112.666 170.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 50.0 mt -63.17 -44.24 99.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 O-C-N 121.374 -0.829 . . . . 0.0 111.05 176.612 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -66.0 -21.8 66.42 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 177.019 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -97.11 -40.66 8.71 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.62 1.168 . . . . 0.0 113.687 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.23 -25.27 11.58 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -172.294 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 . . . . . 0 CA--C 1.545 0.759 0 C-N-CA 125.31 1.444 . . . . 0.0 113.249 -173.65 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.5 mttp . . . . . 0 CA--C 1.54 0.584 0 CA-C-O 119.908 -0.091 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 20' ' ' ALA . 57.8 Cg_endo -68.57 -27.97 32.16 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.688 2.925 . . . . 0.0 114.172 -178.216 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -86.97 93.09 9.25 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 121.71 0.767 . . . . 0.0 111.656 -171.238 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -88.21 149.19 24.0 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.768 2.027 . . . . 0.0 112.464 -177.334 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.1 t -77.71 136.39 63.32 Favored Pre-proline 0 CA--C 1.548 0.887 0 C-N-CA 124.758 1.223 . . . . 0.0 110.227 169.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -78.69 -9.45 15.86 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 123.884 3.056 . . . . 0.0 112.265 173.123 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -110.1 -28.96 8.42 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.345 1.058 . . . . 0.0 113.453 -172.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.6 p -142.24 -175.63 4.51 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.791 0.836 . . . . 0.0 113.076 177.249 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.2 p -74.04 0.03 14.96 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.288 1.435 . . . . 0.0 114.707 -178.127 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -61.22 145.53 50.88 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.044 1.338 . . . . 0.0 114.035 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.21 152.72 35.05 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.212 1.405 . . . . 0.0 111.344 169.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.5 t -143.43 149.63 37.89 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 173.408 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.424 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -67.51 -11.21 57.44 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.331 1.852 . . . . 0.0 115.111 167.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.9 mt -120.14 129.44 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.678 1.191 . . . . 0.0 109.638 -179.238 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -72.88 -30.51 64.01 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 121.204 -0.935 . . . . 0.0 112.395 -177.367 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.4 -35.11 76.6 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 121.102 -0.999 . . . . 0.0 112.162 169.115 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -70.77 -18.55 62.76 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.564 0.746 . . . . 0.0 112.985 173.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.0 tp -80.35 -41.8 24.1 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.165 -0.959 . . . . 0.0 111.321 167.117 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -65.34 -38.46 90.17 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.088 -1.007 . . . . 0.0 112.293 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.2 p -65.86 -32.07 56.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 123.634 0.774 . . . . 0.0 112.445 173.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -75.33 -35.47 61.2 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.84 0.856 . . . . 0.0 112.633 -173.092 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 72.6 mt -62.76 -21.47 65.87 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.65 0.78 . . . . 0.0 112.607 176.474 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 . . . . . 0 N--CA 1.476 0.849 0 C-N-CA 124.523 1.129 . . . . 0.0 112.153 174.603 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.505 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.4 t -66.15 143.26 57.39 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 122.191 0.996 . . . . 0.0 111.866 171.152 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -81.82 -6.35 58.99 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.88 0.872 . . . . 0.0 112.075 175.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -121.26 -27.02 4.95 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.477 1.111 . . . . 0.0 113.619 -171.113 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.5 p -139.56 -178.82 5.57 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.138 0.975 . . . . 0.0 113.295 172.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.9 m -73.51 4.55 4.72 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.157 1.383 . . . . 0.0 113.997 177.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -61.5 148.4 42.12 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 124.522 1.129 . . . . 0.0 113.084 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.3 p -141.77 152.46 43.79 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 125.223 1.409 . . . . 0.0 112.211 173.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 10.1 t -149.17 156.58 42.38 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.301 1.041 . . . . 0.0 112.138 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 88.6 mt -88.64 -7.26 56.67 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.698 1.199 . . . . 0.0 113.815 174.299 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.8 t -117.78 128.25 54.69 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.616 1.167 . . . . 0.0 111.21 175.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -67.9 -32.85 73.62 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.614 1.165 . . . . 0.0 111.415 176.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.4 -42.97 80.43 Favored Glycine 0 CA--C 1.531 1.07 0 C-N-CA 124.551 1.072 . . . . 0.0 112.705 173.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -69.3 -33.23 72.86 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.454 1.127 . . . . 0.0 112.237 175.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 70.0 tp -64.98 -40.59 95.19 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.948 0.795 . . . . 0.0 112.169 170.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.6 tttt -57.62 -50.55 72.77 Favored 'General case' 0 C--N 1.341 0.231 0 O-C-N 121.516 -0.74 . . . . 0.0 109.763 171.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.7 t -58.6 -41.27 81.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 CA-C-N 119.104 0.865 . . . . 0.0 112.206 178.12 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -55.34 -46.65 76.38 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.499 0.72 . . . . 0.0 112.07 174.188 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 87.7 mt -71.57 -40.06 70.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 O-C-N 120.812 -1.18 . . . . 0.0 111.468 178.16 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -68.56 -12.91 61.92 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.568 1.547 . . . . 0.0 113.547 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.7 ptt180 -114.21 -42.92 3.27 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.936 1.294 . . . . 0.0 114.403 176.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 40.4 t -88.06 -45.94 15.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-N 118.433 0.56 . . . . 0.0 110.995 -173.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -104.97 19.55 20.39 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.22 1.408 . . . . 0.0 113.593 -175.182 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? . . . . . 0 CA--C 1.538 0.497 0 C-N-CA 125.203 1.401 . . . . 0.0 111.326 171.742 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 . . . . . 0 CA--C 1.54 0.562 0 N-CA-C 111.281 0.104 . . . . 0.0 111.281 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 46.3 p-80 -141.63 149.46 40.71 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 172.238 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 44.9 t -78.74 127.94 32.75 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.924 1.69 . . . . 0.0 110.495 169.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.41 -15.81 59.16 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 176.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -87.93 -35.33 17.74 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.704 0.802 . . . . 0.0 113.148 -175.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 25.8 p -130.09 3.33 4.8 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 -178.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.2 mptt 61.0 18.28 8.76 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 126.411 1.884 . . . . 0.0 114.012 176.253 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -72.13 137.39 46.97 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.419 1.488 . . . . 0.0 110.841 173.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -88.83 145.16 25.74 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.81 0.844 . . . . 0.0 112.341 175.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -132.1 133.55 44.45 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.09 1.756 . . . . 0.0 110.555 -176.241 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.4 m -87.52 -4.98 58.98 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 -175.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -142.04 142.61 32.89 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 125.586 1.554 . . . . 0.0 108.757 169.544 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.9 p -59.95 -36.24 65.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 119.063 -0.494 . . . . 0.0 110.639 170.65 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -52.91 -45.17 67.46 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.022 0.929 . . . . 0.0 112.795 178.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -78.94 -23.72 44.44 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.63 -43.34 97.12 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 119.187 0.903 . . . . 0.0 111.345 169.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.3 mm -61.12 -47.73 92.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 CA-C-N 118.489 0.586 . . . . 0.0 110.271 176.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -57.86 -42.89 85.46 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.67 1.188 . . . . 0.0 112.001 177.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -60.77 -45.17 95.39 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 124.516 1.126 . . . . 0.0 112.906 172.582 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 58.6 mt -63.26 -42.63 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 O-C-N 121.331 -0.855 . . . . 0.0 110.799 176.44 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 77.3 mtp85 -64.63 -23.56 67.3 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 175.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -97.06 -41.9 8.14 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.526 1.131 . . . . 0.0 113.516 -178.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -106.04 -24.77 12.31 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.818 1.247 . . . . 0.0 114.168 -171.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 . . . . . 0 CA--C 1.546 0.811 0 C-N-CA 125.154 1.382 . . . . 0.0 113.321 -172.527 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.6 mttt . . . . . 0 CA--C 1.547 0.86 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.498 ' HD2' ' HA ' ' A' ' 20' ' ' ALA . 32.1 Cg_endo -65.63 -31.86 49.01 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 124.251 3.301 . . . . 0.0 115.577 -176.636 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -81.15 108.58 14.92 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.15 0.58 . . . . 0.0 110.779 -175.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -101.72 149.59 24.0 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.375 1.47 . . . . 0.0 112.615 -174.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.7 t -76.83 136.37 66.9 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 123.88 0.872 . . . . 0.0 110.51 170.092 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -77.65 -11.07 17.09 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 123.859 3.039 . . . . 0.0 112.461 174.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -112.69 -26.19 8.73 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -173.208 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.2 p -142.01 -176.83 4.94 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 176.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.3 p -73.25 0.7 11.13 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.307 1.443 . . . . 0.0 114.546 -178.482 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -60.56 144.83 50.71 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.02 1.328 . . . . 0.0 113.864 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.75 153.91 38.84 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.353 1.461 . . . . 0.0 111.584 172.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.5 t -148.72 152.36 36.5 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 170.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.498 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -62.03 -14.39 35.39 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 115.27 1.581 . . . . 0.0 115.27 168.206 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.1 mt -125.1 133.28 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.558 1.143 . . . . 0.0 111.075 -170.289 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -63.6 -39.57 94.72 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.229 1.012 . . . . 0.0 112.922 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.27 -34.41 75.13 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.911 0.884 . . . . 0.0 113.052 175.176 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -68.28 -37.9 81.16 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.494 -0.754 . . . . 0.0 111.572 173.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.2 tp -64.28 -45.98 85.66 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.158 -0.964 . . . . 0.0 111.625 170.568 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -54.97 -45.55 74.96 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.169 0.895 . . . . 0.0 111.913 177.014 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.32 -35.75 64.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 123.15 0.58 . . . . 0.0 112.239 -176.606 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -64.61 -41.24 96.33 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.224 1.009 . . . . 0.0 112.734 179.008 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.8 mt -59.86 -21.71 61.33 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.319 1.048 . . . . 0.0 113.214 -178.525 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 . . . . . 0 N--CA 1.475 0.788 0 C-N-CA 124.834 1.254 . . . . 0.0 113.375 179.425 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.563 0 N-CA-C 113.178 0.806 . . . . 0.0 113.178 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.9 t -66.77 142.43 57.38 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 122.133 0.968 . . . . 0.0 111.764 171.111 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -82.14 -5.9 58.79 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.844 0.858 . . . . 0.0 111.992 175.336 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -120.88 -26.93 5.11 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.58 1.152 . . . . 0.0 113.683 -170.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.1 p -139.34 -177.06 4.76 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.033 0.933 . . . . 0.0 113.275 171.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.6 p -74.51 3.68 7.24 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.491 1.516 . . . . 0.0 114.206 176.345 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -60.05 147.51 38.97 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 124.37 1.068 . . . . 0.0 113.023 178.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 38.2 p -142.19 151.15 41.9 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 125.422 1.489 . . . . 0.0 111.843 173.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.6 t -148.67 151.45 34.96 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.045 0.938 . . . . 0.0 111.689 174.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -82.13 -8.93 59.67 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.463 1.105 . . . . 0.0 112.883 173.045 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.3 m -118.89 111.26 18.16 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.557 1.543 . . . . 0.0 111.249 177.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.1 pttt -58.24 -33.11 68.99 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.938 1.295 . . . . 0.0 113.732 177.087 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.96 -36.9 92.67 Favored Glycine 0 CA--C 1.536 1.404 0 O-C-N 122.043 -0.411 . . . . 0.0 113.23 175.066 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -72.95 -35.35 66.95 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.464 1.132 . . . . 0.0 111.941 172.161 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 62.4 tp -61.26 -39.09 89.07 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 118.675 0.671 . . . . 0.0 112.243 172.27 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -59.52 -50.09 75.24 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 121.522 -0.736 . . . . 0.0 110.197 172.024 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 89.0 t -60.15 -39.0 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 118.516 0.598 . . . . 0.0 112.026 177.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 67.9 t60 -57.57 -44.58 85.42 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.813 0.845 . . . . 0.0 112.048 174.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.3 mt -72.36 -38.43 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 O-C-N 120.808 -1.183 . . . . 0.0 111.157 176.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -69.48 -12.66 61.84 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.961 1.304 . . . . 0.0 113.541 178.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.1 ptt180 -112.53 -42.23 3.7 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.953 1.301 . . . . 0.0 114.06 177.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.8 t -90.66 -46.89 14.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 122.81 0.444 . . . . 0.0 111.33 -174.176 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -107.64 18.36 21.51 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.109 1.364 . . . . 0.0 113.978 -171.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? . . . . . 0 N--CA 1.469 0.503 0 C-N-CA 125.732 1.613 . . . . 0.0 111.232 -177.896 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 18.7 mm100 . . . . . 0 CA--C 1.539 0.525 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 37.9 p-80 -133.43 147.09 51.7 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 43.5 t -73.92 126.33 30.21 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.682 1.593 . . . . 0.0 109.439 169.179 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.96 -7.7 59.63 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 175.174 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -96.88 -34.78 11.13 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.179 0.992 . . . . 0.0 112.888 -178.015 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.274 17.4 p -131.74 11.16 4.77 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 116.273 1.953 . . . . 0.0 116.273 179.436 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm 57.01 19.73 4.87 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 126.976 2.11 . . . . 0.0 115.156 173.56 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.1 mttp -77.6 141.27 39.59 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 127.216 2.207 . . . . 0.0 111.404 176.427 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -98.02 143.17 28.86 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.347 1.059 . . . . 0.0 112.494 177.35 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -135.55 114.55 12.16 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.534 1.934 . . . . 0.0 110.596 -173.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.8 m -75.12 -7.68 54.45 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.841 1.257 . . . . 0.0 114.2 -178.28 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -133.72 120.36 20.47 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.687 1.595 . . . . 0.0 109.153 174.606 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.0 p -63.27 -35.88 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 O-C-N 121.778 -0.577 . . . . 0.0 112.35 -173.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -58.29 -34.37 70.47 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.145 0.884 . . . . 0.0 112.349 177.254 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -77.09 -29.12 54.8 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.181 0.592 . . . . 0.0 112.348 176.413 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.19 -43.4 98.92 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 118.836 0.744 . . . . 0.0 110.987 169.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 15.7 mm -61.29 -46.72 96.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 O-C-N 121.926 -0.484 . . . . 0.0 110.481 176.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -60.09 -44.44 94.82 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.077 0.551 . . . . 0.0 111.465 178.081 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -58.14 -42.42 85.81 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.584 1.154 . . . . 0.0 113.059 173.265 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 52.1 mt -64.56 -43.48 96.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 O-C-N 121.329 -0.857 . . . . 0.0 110.745 175.506 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -68.4 -22.81 64.61 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 115.11 1.522 . . . . 0.0 115.11 174.351 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -86.93 -45.23 11.01 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.301 1.041 . . . . 0.0 112.528 178.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.58 -25.55 11.3 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 -171.227 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 . . . . . 0 CA--C 1.545 0.784 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 -169.48 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.3 mttt . . . . . 0 N--CA 1.481 1.107 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -60.66 -29.49 88.53 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 124.519 3.479 . . . . 0.0 114.543 -174.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -92.53 101.8 14.24 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.356 0.662 . . . . 0.0 111.233 -173.068 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -97.98 150.52 21.28 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.862 1.665 . . . . 0.0 111.785 -177.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.3 t -76.42 136.55 68.18 Favored Pre-proline 0 CA--C 1.548 0.869 0 C-N-CA 124.162 0.985 . . . . 0.0 110.213 169.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -77.57 -10.39 17.24 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 123.882 3.055 . . . . 0.0 112.426 175.177 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -113.98 -25.94 8.34 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -172.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.7 p -142.57 -178.61 5.85 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.588 0.959 . . . . 0.0 113.588 177.076 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.7 m -70.98 -0.31 9.07 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.358 1.463 . . . . 0.0 114.594 -176.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -61.28 143.43 55.68 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.021 1.328 . . . . 0.0 113.686 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.7 153.74 36.13 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.141 1.376 . . . . 0.0 111.109 169.051 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.1 t -145.61 161.59 39.46 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.132 0.973 . . . . 0.0 112.742 175.36 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.92 1.46 55.37 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.371 1.468 . . . . 0.0 113.403 171.111 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 57.9 mt -126.23 118.17 50.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 125.353 1.461 . . . . 0.0 108.998 178.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.0 pttt -69.19 -25.03 64.13 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -178.216 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.62 -30.7 71.72 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.152 0.581 . . . . 0.0 112.397 168.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -71.39 -39.03 71.44 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.951 0.9 . . . . 0.0 110.766 173.471 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.82 -46.21 91.42 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.298 -0.876 . . . . 0.0 111.862 169.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -55.24 -46.02 76.03 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.36 0.982 . . . . 0.0 111.773 175.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.29 -35.46 62.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 123.175 0.59 . . . . 0.0 112.466 -176.376 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -64.57 -41.85 96.03 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.64 1.176 . . . . 0.0 112.716 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.6 mt -58.85 -23.15 60.36 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.4 1.08 . . . . 0.0 113.361 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.3 mtp-105 . . . . . 0 N--CA 1.474 0.752 0 C-N-CA 125.127 1.371 . . . . 0.0 114.047 -178.895 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.43 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.4 t -68.44 139.57 55.75 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 122.131 0.967 . . . . 0.0 111.513 172.319 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -83.51 -6.43 59.45 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.714 0.806 . . . . 0.0 111.732 172.652 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -116.67 -26.53 6.97 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.099 1.36 . . . . 0.0 113.101 -170.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.5 p -141.06 -173.17 3.65 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.468 1.107 . . . . 0.0 112.826 169.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.8 p -76.69 3.93 10.6 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.597 1.559 . . . . 0.0 114.31 176.394 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -60.79 147.09 43.78 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.281 1.032 . . . . 0.0 113.368 -179.062 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.2 p -144.35 150.42 37.75 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.491 1.516 . . . . 0.0 112.413 173.491 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 10.3 t -143.83 157.9 44.06 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.404 1.082 . . . . 0.0 111.824 172.641 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -83.26 -0.84 51.37 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.669 1.188 . . . . 0.0 113.287 176.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 64.4 m -133.4 129.67 37.66 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.203 1.401 . . . . 0.0 112.134 178.26 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -60.18 -36.49 77.73 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.238 1.415 . . . . 0.0 114.125 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.4 -34.42 79.66 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 123.176 0.417 . . . . 0.0 112.848 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 53.7 m170 -71.65 -33.72 69.15 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.248 -1.148 . . . . 0.0 112.125 172.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 54.6 tp -61.54 -43.49 98.76 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 118.797 0.726 . . . . 0.0 111.52 169.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.3 tttp -57.35 -52.25 66.1 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 118.548 -0.739 . . . . 0.0 110.11 173.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.7 t -58.27 -40.05 76.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 CA-C-N 119.146 0.885 . . . . 0.0 112.213 178.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -58.22 -46.09 86.5 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.291 0.637 . . . . 0.0 112.446 174.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 80.0 mt -70.77 -38.04 71.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 O-C-N 120.795 -1.19 . . . . 0.0 111.052 177.184 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -69.75 -11.61 60.99 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.53 1.532 . . . . 0.0 113.639 179.178 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.4 ptt180 -114.07 -41.47 3.52 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.917 1.287 . . . . 0.0 113.722 177.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.9 t -91.23 -47.81 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 122.952 0.501 . . . . 0.0 111.341 -174.071 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -106.1 17.62 23.27 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.0 1.32 . . . . 0.0 113.949 -172.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? . . . . . 0 CA--C 1.538 0.504 0 C-N-CA 126.198 1.799 . . . . 0.0 111.358 178.862 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 . . . . . 0 CA--C 1.535 0.376 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 36.2 p-80 -140.22 141.94 35.87 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -171.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 43.1 t -67.24 140.13 57.38 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.908 1.283 . . . . 0.0 112.497 178.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.97 -22.97 52.39 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.84 1.656 . . . . 0.0 113.039 176.749 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -108.42 -33.13 7.17 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -167.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 22.4 p -127.55 3.45 6.19 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp 57.98 17.81 4.65 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.628 1.971 . . . . 0.0 115.046 178.472 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -67.56 137.66 55.88 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.466 1.506 . . . . 0.0 110.878 175.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -90.48 144.73 25.5 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.148 0.979 . . . . 0.0 111.532 176.276 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -130.88 131.86 44.79 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.122 1.369 . . . . 0.0 112.478 -173.256 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.3 m -76.11 -21.25 56.87 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.441 1.096 . . . . 0.0 113.803 -177.36 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -136.88 131.04 32.61 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.992 1.717 . . . . 0.0 109.681 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.81 -36.78 78.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 121.74 -0.6 . . . . 0.0 112.516 -174.389 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -61.18 -33.52 73.57 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 121.199 -0.938 . . . . 0.0 112.254 178.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -76.34 -26.25 55.56 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 174.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.2 tp -64.92 -42.52 94.64 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 119.286 0.948 . . . . 0.0 110.938 169.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 16.0 mm -61.9 -48.44 88.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 O-C-N 121.906 -0.497 . . . . 0.0 110.155 175.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -57.19 -43.03 82.3 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.456 1.102 . . . . 0.0 111.952 177.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -59.59 -44.29 93.4 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.54 1.136 . . . . 0.0 112.844 172.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 59.5 mt -63.12 -44.8 99.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 O-C-N 121.311 -0.868 . . . . 0.0 110.848 175.484 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -65.48 -25.07 67.32 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 177.218 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -93.64 -42.04 9.4 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.577 1.151 . . . . 0.0 113.696 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -104.89 -24.46 12.86 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 -171.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 . . . . . 0 CA--C 1.546 0.826 0 C-N-CA 125.011 1.324 . . . . 0.0 113.451 -171.711 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.9 mttt . . . . . 0 N--CA 1.481 1.108 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -62.14 -30.94 82.87 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 124.389 3.393 . . . . 0.0 115.494 -177.244 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -84.75 102.99 13.45 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.332 0.653 . . . . 0.0 111.257 -175.254 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -98.91 150.08 22.28 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.746 1.618 . . . . 0.0 112.461 -177.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.1 t -77.26 136.36 65.25 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 124.493 1.117 . . . . 0.0 110.419 170.134 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -78.16 -10.33 16.44 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 123.838 3.025 . . . . 0.0 112.319 174.57 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -113.21 -25.83 8.7 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -172.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.9 p -142.88 -177.84 5.52 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 175.754 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.8 m -71.61 0.75 7.88 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.242 1.417 . . . . 0.0 114.435 -177.243 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -62.07 144.39 55.32 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.953 1.301 . . . . 0.0 114.014 -179.011 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.38 153.68 38.9 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.841 1.256 . . . . 0.0 111.751 169.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.8 t -146.39 168.77 20.31 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.688 1.195 . . . . 0.0 112.362 173.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.32 0.44 56.81 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.368 1.467 . . . . 0.0 114.451 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 45.3 mt -135.19 136.76 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.278 1.431 . . . . 0.0 110.225 -171.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -61.47 -43.08 99.5 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.62 1.168 . . . . 0.0 112.486 176.63 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.73 -34.54 74.56 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.859 0.864 . . . . 0.0 113.041 175.015 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 -71.05 -19.84 62.44 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 175.415 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.9 tp -82.19 -40.45 21.71 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.412 -0.805 . . . . 0.0 111.074 167.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -62.71 -42.81 99.84 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 120.924 -1.11 . . . . 0.0 112.084 178.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.2 p -62.79 -31.06 50.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 175.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -77.9 -40.56 39.42 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.813 0.845 . . . . 0.0 111.924 -175.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.1 mt -61.71 -21.48 64.52 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.207 1.003 . . . . 0.0 112.937 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.7 mtp-105 . . . . . 0 N--CA 1.479 1.014 0 C-N-CA 125.721 1.608 . . . . 0.0 113.335 175.788 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.515 0 N-CA-C 111.944 0.349 . . . . 0.0 111.944 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.5 t -64.17 142.71 58.32 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 122.239 1.018 . . . . 0.0 111.489 171.384 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -80.55 -4.95 55.92 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.68 0.792 . . . . 0.0 112.089 176.104 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -123.72 -26.62 4.11 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.581 1.152 . . . . 0.0 113.814 -170.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.9 p -139.1 -177.26 4.82 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.346 1.059 . . . . 0.0 113.344 171.435 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.5 p -75.04 3.6 8.15 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.608 1.563 . . . . 0.0 114.335 176.689 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -60.31 149.06 34.69 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.326 1.05 . . . . 0.0 113.007 178.122 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.7 p -141.6 151.43 43.13 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.172 1.389 . . . . 0.0 112.168 175.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.2 t -149.54 154.44 38.74 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.223 1.009 . . . . 0.0 112.515 -179.071 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 45.9 mt -87.94 -3.17 58.94 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.162 1.385 . . . . 0.0 113.318 175.181 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t -127.65 129.79 47.81 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.681 1.592 . . . . 0.0 111.507 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.1 tptt -69.49 -33.81 73.41 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.204 1.402 . . . . 0.0 111.933 177.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.17 -42.53 75.71 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 124.327 0.965 . . . . 0.0 112.696 174.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 54.8 m170 -69.33 -32.9 72.31 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.429 -1.042 . . . . 0.0 112.155 175.548 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 63.1 tp -66.42 -39.11 88.77 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.419 -0.801 . . . . 0.0 112.425 171.326 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.8 tttt -58.36 -47.36 84.03 Favored 'General case' 0 N--CA 1.464 0.267 0 O-C-N 121.367 -0.833 . . . . 0.0 110.213 171.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.6 t -60.79 -41.34 88.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-N 118.676 0.671 . . . . 0.0 111.903 176.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -55.63 -45.68 77.55 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.648 0.658 . . . . 0.0 112.108 174.035 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.5 mt -71.7 -40.27 70.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 O-C-N 120.698 -1.251 . . . . 0.0 111.488 178.707 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -68.0 -14.2 62.78 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.448 1.499 . . . . 0.0 113.814 179.195 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.5 ptt180 -111.97 -40.79 4.14 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 177.289 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.1 t -91.03 -47.34 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-N 118.3 0.5 . . . . 0.0 111.406 -174.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -102.42 17.71 22.89 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.124 1.37 . . . . 0.0 113.998 -174.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? . . . . . 0 CA--C 1.535 0.401 0 C-N-CA 125.512 1.525 . . . . 0.0 110.828 173.685 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 . . . . . 0 CA--C 1.538 0.496 0 N-CA-C 110.539 -0.171 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 -131.86 151.43 51.69 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 174.334 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 53.7 t -71.99 132.06 43.78 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.81 1.644 . . . . 0.0 112.506 176.54 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.7 -2.58 47.39 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 177.228 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -110.04 -35.3 6.16 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.484 1.113 . . . . 0.0 113.442 -179.392 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.2 p -130.56 2.04 4.53 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 115.454 1.649 . . . . 0.0 115.454 -178.068 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt 55.73 23.14 6.01 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 126.163 1.785 . . . . 0.0 115.023 178.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -69.83 141.64 53.23 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.581 1.552 . . . . 0.0 111.002 169.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.81 142.75 27.4 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.321 1.048 . . . . 0.0 111.765 177.336 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -134.13 124.05 25.44 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.193 1.797 . . . . 0.0 111.327 -179.361 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.9 m -83.84 -6.11 59.35 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 -177.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -133.52 122.06 23.06 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 126.446 1.898 . . . . 0.0 108.73 172.254 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.9 p -62.18 -36.38 74.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 O-C-N 121.88 -0.513 . . . . 0.0 111.669 -177.474 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -59.36 -33.81 71.62 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 121.333 -0.855 . . . . 0.0 112.39 176.429 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -77.95 -26.88 49.12 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 174.281 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.1 tp -63.27 -42.7 99.14 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 119.368 0.986 . . . . 0.0 110.703 168.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.4 mm -61.69 -47.88 91.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 O-C-N 121.816 -0.552 . . . . 0.0 110.322 175.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -57.93 -40.05 79.51 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.486 1.114 . . . . 0.0 112.31 177.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -62.96 -44.31 96.4 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.796 1.238 . . . . 0.0 112.619 172.328 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 64.0 mt -63.88 -43.36 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 CA-C-N 119.264 0.938 . . . . 0.0 110.839 175.388 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 77.0 mtp85 -64.17 -22.73 67.05 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.984 1.314 . . . . 0.0 114.44 176.487 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -91.15 -57.31 2.84 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.182 0.993 . . . . 0.0 113.159 174.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -90.58 -26.96 19.42 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 -164.426 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 . . . . . 0 CA--C 1.547 0.847 0 C-N-CA 125.77 1.628 . . . . 0.0 112.707 -171.145 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 N--CA 1.479 1.025 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -63.32 -28.39 72.04 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 124.162 3.242 . . . . 0.0 115.343 -173.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -83.17 95.92 8.26 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.19 0.596 . . . . 0.0 111.139 -176.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -91.11 148.76 22.15 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.942 1.697 . . . . 0.0 111.86 -179.086 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.2 t -75.77 134.48 72.11 Favored Pre-proline 0 CA--C 1.548 0.891 0 C-N-CA 124.313 1.045 . . . . 0.0 110.286 170.302 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -77.75 -6.82 16.33 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 123.816 3.011 . . . . 0.0 112.319 173.349 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -113.82 -29.09 7.19 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.837 1.255 . . . . 0.0 113.237 -170.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.6 p -144.56 -174.97 4.47 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 123.931 0.893 . . . . 0.0 113.294 176.179 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.9 m -73.26 0.28 12.37 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.237 1.415 . . . . 0.0 114.687 -177.067 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -62.07 147.04 48.62 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.102 1.361 . . . . 0.0 113.968 -178.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.21 153.31 37.43 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.826 1.25 . . . . 0.0 112.042 169.589 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.3 t -145.3 166.81 24.47 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.846 1.258 . . . . 0.0 112.478 172.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.24 -1.72 57.73 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.167 1.387 . . . . 0.0 114.477 176.157 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 56.8 mt -134.17 135.1 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 125.129 1.372 . . . . 0.0 110.303 -170.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -63.62 -39.46 94.41 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.028 0.931 . . . . 0.0 112.761 177.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.14 -36.02 76.58 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.638 0.775 . . . . 0.0 113.028 173.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -70.96 -26.71 63.29 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.497 -0.752 . . . . 0.0 112.332 175.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.3 tp -75.23 -44.43 46.17 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.135 0.88 . . . . 0.0 111.272 169.235 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -54.64 -46.11 73.88 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.103 0.865 . . . . 0.0 111.61 176.488 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.71 -34.98 67.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 123.339 0.655 . . . . 0.0 112.244 -176.6 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -66.2 -41.45 90.16 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.634 1.174 . . . . 0.0 112.748 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.0 mt -60.31 -22.98 63.82 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.975 0.91 . . . . 0.0 112.85 -178.188 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 . . . . . 0 N--CA 1.473 0.694 0 C-N-CA 124.933 1.293 . . . . 0.0 112.889 179.179 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.421 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.9 t -69.32 140.23 54.32 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 122.147 0.975 . . . . 0.0 111.685 172.148 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -83.75 -4.56 58.73 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.865 0.866 . . . . 0.0 111.876 173.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -120.25 -26.66 5.42 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.89 1.276 . . . . 0.0 113.447 -170.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.7 p -139.94 -175.51 4.25 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.227 1.011 . . . . 0.0 113.028 170.231 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.2 p -75.1 3.94 7.68 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.471 1.509 . . . . 0.0 114.34 176.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -59.58 144.88 46.35 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.426 1.09 . . . . 0.0 113.167 179.439 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.8 p -143.22 151.95 41.18 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 125.81 1.644 . . . . 0.0 111.588 171.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.1 t -147.99 156.61 42.84 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.974 0.91 . . . . 0.0 112.257 175.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 47.1 mt -78.92 -3.09 43.11 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 124.476 1.111 . . . . 0.0 112.858 172.567 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.0 t -123.23 125.65 45.49 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.772 1.629 . . . . 0.0 112.444 178.159 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.9 pttp -63.7 -34.39 77.76 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.404 1.482 . . . . 0.0 112.318 170.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -67.55 -40.54 90.83 Favored Glycine 0 CA--C 1.53 1.025 0 C-N-CA 123.836 0.731 . . . . 0.0 112.268 176.233 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -71.16 -34.6 71.12 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.444 -1.033 . . . . 0.0 112.371 174.34 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.9 tp -58.53 -43.58 89.25 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.296 0.953 . . . . 0.0 111.68 170.043 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -59.17 -50.86 72.41 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.852 -0.53 . . . . 0.0 110.616 175.598 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.0 t -60.5 -38.85 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-N 118.283 0.492 . . . . 0.0 111.99 178.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -58.12 -45.55 87.1 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.963 0.905 . . . . 0.0 112.194 175.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 80.2 mt -71.53 -39.26 70.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 O-C-N 120.745 -1.222 . . . . 0.0 110.999 177.164 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -68.37 -14.07 62.73 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.89 1.276 . . . . 0.0 113.782 179.073 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.1 ptt180 -110.75 -41.77 4.2 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.799 1.24 . . . . 0.0 114.011 177.382 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.4 t -91.38 -47.69 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-N 118.362 0.528 . . . . 0.0 111.386 -173.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -106.57 17.58 23.1 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.926 1.291 . . . . 0.0 114.082 -172.276 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? . . . . . 0 N--CA 1.467 0.42 0 C-N-CA 125.845 1.658 . . . . 0.0 111.115 -178.976 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 . . . . . 0 CA--C 1.542 0.666 0 N-CA-C 116.719 2.118 . . . . 0.0 116.719 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 -139.92 151.93 45.98 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.145 0.978 . . . . 0.0 111.971 168.378 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.9 t -66.77 129.68 40.67 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.381 1.873 . . . . 0.0 112.206 -178.083 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -20.49 61.74 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 174.582 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -87.47 -43.31 12.15 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -177.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.4 p -125.77 4.26 7.42 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 -174.43 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . 0.253 13.2 mptt 61.53 15.36 6.67 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 126.961 2.104 . . . . 0.0 114.943 174.478 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -73.84 125.08 27.36 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.937 1.695 . . . . 0.0 111.893 173.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 49.5 tttm -74.16 141.67 45.53 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 126.803 2.041 . . . . 0.0 110.536 173.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -121.3 -1.85 9.64 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 116.972 2.212 . . . . 0.0 116.972 -172.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 44.5 m 58.38 -7.61 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 127.269 2.228 . . . . 0.0 116.361 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -154.92 132.62 11.37 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 128.587 2.755 . . . . 0.0 107.351 168.357 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 11.4 p -52.82 -36.75 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 O-C-N 121.627 -0.671 . . . . 0.0 111.569 169.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -60.59 -32.96 72.05 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.353 0.979 . . . . 0.0 112.672 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 56.7 m-20 -73.37 -37.36 66.06 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 118.225 0.466 . . . . 0.0 111.85 173.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 63.7 tp -61.94 -38.58 88.98 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.6 0.76 . . . . 0.0 112.114 178.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 19.9 mm -58.88 -47.78 88.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 CA-C-N 118.48 0.582 . . . . 0.0 110.245 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 25.4 ttmm -62.96 -40.52 97.93 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.677 0.791 . . . . 0.0 112.108 177.104 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -58.4 -45.98 87.31 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 118.674 0.67 . . . . 0.0 112.51 171.325 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 58.3 mt -61.25 -46.56 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-N 118.812 0.733 . . . . 0.0 110.537 175.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 70.0 mtt-85 -64.69 -26.69 68.48 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 178.32 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -93.64 -38.26 11.43 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -105.5 -24.79 12.54 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.876 1.27 . . . . 0.0 114.363 -173.095 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 . . . . . 0 CA--C 1.551 1.007 0 C-N-CA 125.937 1.695 . . . . 0.0 112.433 -175.812 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.6 mttp . . . . . 0 N--CA 1.477 0.924 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.91 -30.89 92.85 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 125.029 3.819 . . . . 0.0 115.509 -173.291 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -84.03 100.98 11.43 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 124.229 1.011 . . . . 0.0 109.464 -178.241 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -116.6 144.75 44.0 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.211 1.404 . . . . 0.0 111.937 -167.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.9 t -75.96 132.22 74.61 Favored Pre-proline 0 CA--C 1.547 0.865 0 C-N-CA 123.689 0.796 . . . . 0.0 110.351 -177.029 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -76.79 -6.23 16.66 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 123.786 2.991 . . . . 0.0 112.175 172.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -115.57 -28.12 6.9 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.831 1.253 . . . . 0.0 113.25 -170.187 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.8 p -143.88 -172.68 3.8 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.701 0.801 . . . . 0.0 113.144 174.354 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.9 p -75.43 -0.54 20.38 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.373 1.469 . . . . 0.0 114.548 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -61.41 146.38 48.51 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.962 1.305 . . . . 0.0 114.081 -179.244 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.89 157.21 42.95 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.9 1.28 . . . . 0.0 112.334 172.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.5 t -146.34 158.19 43.86 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.8 1.64 . . . . 0.0 112.285 174.185 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.49 -2.39 53.23 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.689 1.196 . . . . 0.0 113.868 168.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 52.7 mt -127.67 132.83 68.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.897 1.279 . . . . 0.0 110.707 -173.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.0 tttm -58.14 -47.55 82.97 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.945 1.298 . . . . 0.0 112.922 178.182 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.21 -31.77 72.34 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 178.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -74.43 -16.89 60.86 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.542 0.737 . . . . 0.0 112.983 176.136 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 67.1 tp -83.14 -39.42 21.09 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.265 -0.897 . . . . 0.0 111.094 166.247 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -66.93 -38.2 85.74 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 120.991 -1.068 . . . . 0.0 112.231 -178.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.8 p -65.5 -30.53 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 123.718 0.807 . . . . 0.0 112.649 173.302 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -76.88 -37.97 54.51 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.94 0.896 . . . . 0.0 112.619 -172.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.9 mt -61.43 -20.71 63.41 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.574 0.75 . . . . 0.0 112.633 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 . . . . . 0 N--CA 1.478 0.927 0 C-N-CA 125.732 1.613 . . . . 0.0 113.683 176.07 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.449 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.0 t -67.66 141.9 56.56 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 122.155 0.978 . . . . 0.0 112.091 171.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -85.14 -6.41 59.29 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.95 0.9 . . . . 0.0 111.873 173.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -117.95 -27.02 6.27 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.05 1.34 . . . . 0.0 113.319 -172.272 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.0 p -140.26 -176.67 4.7 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.838 0.855 . . . . 0.0 113.136 171.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.7 m -74.69 5.03 5.3 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.158 1.383 . . . . 0.0 114.013 177.237 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -62.44 148.07 46.69 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.591 1.156 . . . . 0.0 113.198 -178.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.7 p -142.74 149.43 38.74 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 125.436 1.495 . . . . 0.0 111.912 172.368 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 5.0 t -141.54 168.8 18.9 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.418 1.087 . . . . 0.0 112.004 174.664 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -91.95 7.59 41.42 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.962 1.305 . . . . 0.0 114.305 179.464 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 34.9 t -146.07 137.82 24.98 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.935 1.294 . . . . 0.0 112.39 175.028 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -58.49 -32.82 69.15 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.615 1.566 . . . . 0.0 112.837 168.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.17 -42.78 74.69 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 123.511 0.576 . . . . 0.0 112.367 176.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 55.4 m170 -69.47 -34.57 74.57 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 121.616 -0.932 . . . . 0.0 112.161 173.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.0 tp -61.5 -43.32 99.07 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.342 0.657 . . . . 0.0 111.992 170.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.3 tttp -58.23 -50.28 74.11 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 118.423 -0.799 . . . . 0.0 109.951 173.276 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.8 t -58.15 -41.17 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 119.116 0.871 . . . . 0.0 112.129 178.507 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -57.2 -47.29 81.65 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.386 0.674 . . . . 0.0 112.477 174.541 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 93.6 mt -70.3 -39.56 76.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 O-C-N 120.907 -1.12 . . . . 0.0 111.129 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -67.88 -13.73 62.39 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.125 1.77 . . . . 0.0 113.768 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -114.09 -39.48 3.91 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.693 1.197 . . . . 0.0 114.039 178.2 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 38.3 t -91.32 -46.65 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 122.826 0.45 . . . . 0.0 111.26 -175.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -108.38 18.34 21.11 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 -171.565 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.47 0.573 0 C-N-CA 125.14 1.376 . . . . 0.0 110.557 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 CA--C 1.538 0.497 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 27.3 p-80 -140.23 151.77 45.43 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 168.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.1 t -73.64 130.19 39.52 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.889 1.675 . . . . 0.0 112.539 179.002 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.34 -5.87 53.46 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 178.118 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -101.62 -39.07 7.65 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.481 1.112 . . . . 0.0 113.255 177.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.6 p -130.28 3.8 4.74 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 115.651 1.722 . . . . 0.0 115.651 -173.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt 59.31 13.74 3.29 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 126.595 1.958 . . . . 0.0 115.131 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -65.58 135.9 55.67 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.968 1.307 . . . . 0.0 110.646 174.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -87.83 142.92 27.43 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.82 0.848 . . . . 0.0 112.69 178.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -134.69 126.63 29.45 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.876 1.67 . . . . 0.0 110.9 -175.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 48.6 m -83.71 -9.61 58.73 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -177.29 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -137.58 128.1 26.65 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 125.648 1.579 . . . . 0.0 109.637 173.255 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.7 p -63.4 -35.6 72.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 N-CA-C 112.397 0.518 . . . . 0.0 112.397 -175.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -57.32 -38.43 74.04 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 119.197 0.908 . . . . 0.0 112.499 178.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -76.52 -25.07 53.79 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.47 0.708 . . . . 0.0 112.399 176.262 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.4 tp -66.3 -43.22 86.9 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 119.166 0.893 . . . . 0.0 111.324 169.541 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 15.7 mm -60.12 -46.86 93.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-N 118.44 0.564 . . . . 0.0 110.257 176.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.0 tppt? -58.35 -46.45 86.25 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.296 1.439 . . . . 0.0 111.433 175.359 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 55.7 t60 -59.11 -43.63 91.91 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.358 0.663 . . . . 0.0 112.304 174.295 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 58.2 mt -59.41 -52.54 59.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-O 118.744 -0.645 . . . . 0.0 110.164 174.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -60.73 -33.38 72.83 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 179.349 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -86.76 -37.46 17.84 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -177.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -102.94 -30.8 10.58 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -172.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 . . . . . 0 N--CA 1.476 0.83 0 N-CA-C 115.925 1.824 . . . . 0.0 115.925 -169.769 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.513 0 N-CA-C 111.721 -0.552 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.3 p -87.87 -8.21 56.14 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -178.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.3 p -72.39 156.59 38.92 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.427 1.491 . . . . 0.0 113.611 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.06 170.65 53.04 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 124.576 1.084 . . . . 0.0 114.599 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.9 m -66.86 154.89 39.81 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.902 1.281 . . . . 0.0 113.458 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.7 m -64.82 154.05 38.26 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.897 1.279 . . . . 0.0 113.398 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.86 -27.39 0.24 Allowed Glycine 0 CA--C 1.536 1.358 0 C-N-CA 124.365 0.984 . . . . 0.0 114.775 176.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 49.46 60.73 15.04 Favored Pre-proline 0 N--CA 1.48 1.066 0 C-N-CA 126.714 2.006 . . . . 0.0 114.107 176.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -62.78 -32.73 77.8 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 124.351 3.367 . . . . 0.0 115.365 -177.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -82.24 103.05 11.55 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.579 0.752 . . . . 0.0 110.335 -175.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -115.68 146.62 41.69 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.692 1.597 . . . . 0.0 112.666 -169.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.5 t -77.07 136.03 66.29 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 124.137 0.975 . . . . 0.0 110.987 -178.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -77.05 -10.59 17.97 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 123.848 3.032 . . . . 0.0 112.375 174.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -112.63 -27.36 8.22 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 -173.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.7 p -143.49 -177.74 5.54 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.8 m -71.94 1.14 7.64 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.32 1.448 . . . . 0.0 114.414 -177.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -61.9 143.35 56.55 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.962 1.305 . . . . 0.0 113.871 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.83 152.14 35.99 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.092 1.357 . . . . 0.0 112.025 172.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.7 t -147.46 166.42 27.29 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.019 1.328 . . . . 0.0 112.333 173.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.2 0.51 56.69 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.069 1.347 . . . . 0.0 114.058 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 61.9 mt -132.1 134.48 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.365 1.466 . . . . 0.0 110.201 -172.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -62.74 -41.23 99.09 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.997 0.919 . . . . 0.0 112.924 178.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.32 -34.47 73.84 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.995 0.918 . . . . 0.0 113.07 175.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -68.9 -38.44 79.6 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.583 -0.698 . . . . 0.0 111.561 175.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.2 tp -65.32 -45.03 85.93 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.176 -0.952 . . . . 0.0 111.623 170.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -55.16 -47.52 75.04 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.204 0.911 . . . . 0.0 111.535 176.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.84 -35.1 71.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 123.186 0.594 . . . . 0.0 112.241 -176.102 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -66.14 -40.6 90.74 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.169 0.988 . . . . 0.0 112.743 177.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.5 mt -62.62 -24.77 67.76 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.019 0.928 . . . . 0.0 112.668 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -59.33 -17.71 31.86 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.023 1.329 . . . . 0.0 114.325 176.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -81.58 -28.46 33.81 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.075 1.35 . . . . 0.0 112.651 174.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 -88.67 -12.82 41.33 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.325 1.45 . . . . 0.0 114.304 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 29.3 p -72.22 163.12 28.49 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -71.61 -176.67 25.87 Favored Glycine 0 CA--C 1.539 1.554 0 C-N-CA 123.889 0.757 . . . . 0.0 114.335 173.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -72.45 134.12 45.19 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.636 -0.92 . . . . 0.0 113.225 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -86.61 114.25 23.17 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 124.062 0.945 . . . . 0.0 111.55 171.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -96.58 119.37 34.95 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 125.107 1.363 . . . . 0.0 108.676 169.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.61 148.38 22.12 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.412 1.085 . . . . 0.0 113.052 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.2 t -67.23 142.63 56.87 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 122.115 0.96 . . . . 0.0 111.792 170.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -81.53 -5.59 58.14 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.891 0.876 . . . . 0.0 112.068 175.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -122.66 -26.94 4.43 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.359 1.063 . . . . 0.0 113.808 -170.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.2 p -138.73 -178.34 5.27 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.045 0.938 . . . . 0.0 113.273 172.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.0 m -73.43 4.56 4.61 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.297 1.439 . . . . 0.0 114.068 176.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -61.1 146.41 47.5 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 123.966 0.906 . . . . 0.0 112.784 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.3 p -139.78 152.04 46.26 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 125.06 1.344 . . . . 0.0 112.193 171.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 9.1 t -143.21 151.01 40.12 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.314 1.045 . . . . 0.0 112.165 -177.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.5 mt -87.44 -3.9 59.01 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.684 1.194 . . . . 0.0 113.254 170.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.0 m -131.44 111.4 11.77 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.897 1.679 . . . . 0.0 110.884 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.402 ' HG2' ' H ' ' A' ' 49' ' ' LYS . 21.6 pttt -60.81 -31.36 70.76 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.996 1.318 . . . . 0.0 113.971 -178.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.16 -34.84 81.99 Favored Glycine 0 CA--C 1.538 1.513 0 O-C-N 121.871 -0.518 . . . . 0.0 113.406 174.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -72.77 -35.52 67.45 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.286 -1.126 . . . . 0.0 111.765 172.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.68 -39.42 91.36 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.381 0.672 . . . . 0.0 112.211 171.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -59.07 -49.17 78.92 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.356 -0.84 . . . . 0.0 111.135 171.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.3 t -60.8 -39.64 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 CA-C-N 118.661 0.664 . . . . 0.0 111.85 177.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -57.2 -46.46 82.87 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.845 0.858 . . . . 0.0 111.718 175.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 93.7 mt -70.7 -42.63 77.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 O-C-N 121.023 -1.048 . . . . 0.0 111.233 177.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -63.95 -21.12 66.34 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.08 1.352 . . . . 0.0 113.859 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.7 ptm85 -105.89 -41.59 5.37 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.7 t -90.54 -42.85 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 CA-C-N 118.219 0.463 . . . . 0.0 111.557 -173.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -113.69 15.08 18.88 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -169.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -84.95 133.07 34.28 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.891 1.677 . . . . 0.0 109.738 173.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm 50.87 46.73 25.78 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.319 1.448 . . . . 0.0 112.508 -169.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 19.8 tt -78.32 138.79 19.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 125.071 1.348 . . . . 0.0 111.834 -179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -67.54 139.43 56.95 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.561 0.744 . . . . 0.0 111.496 173.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -140.56 165.94 26.07 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.619 1.568 . . . . 0.0 110.805 -177.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 38.7 p-80 -133.07 148.23 52.19 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.582 0.753 . . . . 0.0 112.528 169.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 52.7 t -69.64 135.19 49.6 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.15 1.38 . . . . 0.0 112.457 178.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.83 -0.74 44.77 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 178.052 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -113.52 -35.68 5.17 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.473 1.109 . . . . 0.0 113.503 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.9 p -129.59 2.33 5.0 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 -176.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm 56.38 15.85 2.16 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 126.739 2.015 . . . . 0.0 115.549 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -63.3 137.89 58.34 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.931 1.292 . . . . 0.0 110.671 172.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -84.46 142.79 29.83 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.146 0.978 . . . . 0.0 112.058 177.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -131.45 144.23 51.01 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.19 1.796 . . . . 0.0 112.477 -176.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 44.1 p -81.27 -16.81 51.47 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.311 1.844 . . . . 0.0 114.671 -174.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -152.18 145.72 24.91 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 126.346 1.858 . . . . 0.0 108.362 176.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.9 p -57.87 -37.2 59.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 O-C-N 121.62 -0.675 . . . . 0.0 111.305 170.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -62.62 -32.5 73.53 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.8 1.182 . . . . 0.0 112.717 178.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -73.59 -35.51 65.43 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.305 0.642 . . . . 0.0 111.741 174.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.7 tp -62.45 -39.17 92.52 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.691 0.796 . . . . 0.0 112.457 174.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 16.2 mm -61.4 -46.31 96.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 O-C-N 121.641 -0.662 . . . . 0.0 110.747 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -59.24 -40.99 87.65 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.366 0.666 . . . . 0.0 111.847 177.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -60.97 -45.48 94.6 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.679 0.792 . . . . 0.0 113.05 171.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 66.5 mt -62.91 -43.45 98.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 O-C-N 121.33 -0.856 . . . . 0.0 110.792 176.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 76.6 mtp85 -63.04 -23.18 67.33 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 175.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -97.13 -44.27 7.03 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.541 1.137 . . . . 0.0 113.516 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -103.47 -25.57 13.19 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.9 1.28 . . . . 0.0 114.239 -171.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 57.0 m-70 -129.36 29.65 5.08 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.374 1.47 . . . . 0.0 112.719 -173.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.48 147.05 61.49 Favored Pre-proline 0 CA--C 1.553 1.069 0 N-CA-C 114.652 1.353 . . . . 0.0 114.652 -168.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -82.27 7.25 5.22 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 124.059 3.173 . . . . 0.0 115.316 -172.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 55.53 34.78 23.81 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 126.272 1.829 . . . . 0.0 113.67 -175.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.1 t70 . . . . . 0 C--O 1.253 1.284 0 C-N-CA 126.707 2.003 . . . . 0.0 112.82 -177.393 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.598 0 N-CA-C 111.988 -0.445 . . . . 0.0 111.988 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.7 m -67.15 148.95 51.16 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.47 1.108 . . . . 0.0 113.028 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.3 t -75.38 146.3 40.94 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.974 0.909 . . . . 0.0 112.397 177.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.75 179.67 37.47 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 125.416 1.484 . . . . 0.0 113.249 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.3 p -77.31 154.49 32.82 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.302 1.041 . . . . 0.0 112.343 173.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.1 m -71.99 -38.32 69.7 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 113.666 0.988 . . . . 0.0 113.666 -173.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.16 -135.03 52.04 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 124.422 1.01 . . . . 0.0 112.915 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.2 mttp 53.82 63.61 7.63 Favored Pre-proline 0 N--CA 1.478 0.975 0 C-N-CA 126.215 1.806 . . . . 0.0 113.473 169.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.37 -28.8 71.82 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 123.827 3.018 . . . . 0.0 115.373 -175.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -83.83 99.75 10.52 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.145 0.578 . . . . 0.0 111.245 -176.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -94.45 149.59 21.09 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.83 1.652 . . . . 0.0 112.265 -178.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.7 t -78.0 136.75 61.79 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 124.628 1.171 . . . . 0.0 110.664 171.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -78.61 -10.84 15.75 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 123.991 3.127 . . . . 0.0 112.277 173.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -108.03 -28.84 9.32 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.401 1.08 . . . . 0.0 113.497 -173.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.8 p -145.13 -176.0 4.92 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 178.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.3 m -72.36 0.14 10.87 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.312 1.445 . . . . 0.0 114.477 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -61.33 145.32 51.87 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.736 1.215 . . . . 0.0 113.794 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.18 152.57 36.28 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.801 1.24 . . . . 0.0 111.796 169.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.8 t -144.33 168.23 20.59 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.745 1.218 . . . . 0.0 112.584 173.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.95 -1.45 58.0 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.273 1.429 . . . . 0.0 114.375 177.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 56.7 mt -135.19 135.43 52.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 125.285 1.434 . . . . 0.0 110.047 -170.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -63.13 -39.54 94.99 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 123.987 0.915 . . . . 0.0 112.692 177.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.99 -36.1 76.44 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.786 0.834 . . . . 0.0 113.014 173.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -71.41 -25.22 62.24 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.568 -0.707 . . . . 0.0 112.46 175.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.5 tp -76.65 -44.7 32.88 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.35 -0.844 . . . . 0.0 111.064 168.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -54.25 -48.25 71.37 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 119.083 0.856 . . . . 0.0 111.461 176.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.08 -33.77 65.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 123.669 0.787 . . . . 0.0 112.295 -176.423 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -69.04 -38.65 79.24 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.681 1.193 . . . . 0.0 112.772 178.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.9 mt -65.88 -24.38 66.85 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.596 0.758 . . . . 0.0 112.587 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.5 mtp-105 -59.33 -35.67 74.26 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.938 0.895 . . . . 0.0 112.145 173.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -65.74 -37.25 85.86 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.834 1.254 . . . . 0.0 111.835 -179.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -68.19 -9.79 49.55 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 176.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.4 p -74.34 -26.05 59.91 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 119.815 1.189 . . . . 0.0 113.043 173.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -97.77 177.48 31.73 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 125.477 1.513 . . . . 0.0 114.183 -175.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -73.41 127.89 33.95 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.746 -0.855 . . . . 0.0 111.726 175.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -99.43 110.35 22.84 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.049 0.939 . . . . 0.0 110.652 176.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -91.82 106.82 18.76 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 126.708 2.003 . . . . 0.0 109.119 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.16 144.66 25.19 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.557 1.318 . . . . 0.0 114.557 -173.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.5 t -67.95 143.9 55.43 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 122.192 0.996 . . . . 0.0 112.133 171.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -85.61 -7.75 58.65 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.01 0.924 . . . . 0.0 111.925 173.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -117.57 -27.19 6.38 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.042 1.337 . . . . 0.0 113.381 -172.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.4 p -138.51 -176.6 4.52 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 172.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.1 p -75.93 4.44 8.2 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.487 1.515 . . . . 0.0 114.139 176.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -60.34 146.05 45.52 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.563 1.145 . . . . 0.0 113.015 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 52.0 p -142.13 153.05 43.8 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 125.355 1.462 . . . . 0.0 112.032 170.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 5.4 t -142.13 170.64 15.33 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.542 1.137 . . . . 0.0 112.121 178.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -93.39 5.79 50.37 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.064 1.746 . . . . 0.0 113.796 178.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.2 t -145.22 137.86 26.09 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.71 1.204 . . . . 0.0 112.469 173.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.1 pttt -59.24 -32.86 70.36 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.703 1.601 . . . . 0.0 112.516 169.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.17 -41.31 70.06 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 123.748 0.689 . . . . 0.0 112.354 176.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 62.2 m170 -69.96 -34.05 72.9 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.464 -1.021 . . . . 0.0 112.163 173.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.32 -43.53 98.72 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.589 0.756 . . . . 0.0 111.994 170.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -57.95 -49.62 76.17 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.519 -0.738 . . . . 0.0 110.776 172.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 76.4 t -59.14 -39.47 78.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 118.7 0.682 . . . . 0.0 111.932 177.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -57.62 -47.16 82.95 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.526 0.603 . . . . 0.0 111.911 175.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 82.4 mt -70.23 -39.53 76.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 O-C-N 120.913 -1.117 . . . . 0.0 111.091 178.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -69.3 -11.41 60.78 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.401 1.48 . . . . 0.0 114.25 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -114.34 -41.04 3.53 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 175.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 40.5 t -90.19 -47.71 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 122.957 0.503 . . . . 0.0 111.33 -173.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -103.34 22.6 13.88 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.431 1.492 . . . . 0.0 113.247 -177.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -71.12 140.97 50.79 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.994 1.718 . . . . 0.0 111.13 173.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt 52.46 46.65 26.29 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 126.649 1.98 . . . . 0.0 113.643 -175.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 14.5 tt -95.43 150.66 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 125.326 1.45 . . . . 0.0 112.365 -178.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.4 pttp -66.49 152.56 44.94 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.577 1.151 . . . . 0.0 112.837 173.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 -143.71 175.62 9.84 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.522 1.929 . . . . 0.0 110.637 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -138.14 152.52 48.78 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.198 -0.938 . . . . 0.0 113.069 168.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 53.1 t -73.7 132.42 42.67 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.976 1.711 . . . . 0.0 112.652 -179.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.76 -4.1 50.48 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 177.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -107.81 -34.71 6.87 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.271 1.029 . . . . 0.0 113.419 -178.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.8 p -131.12 3.92 4.38 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 -177.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt 59.41 11.55 2.29 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 126.617 1.967 . . . . 0.0 115.302 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -64.55 135.73 56.3 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.901 1.28 . . . . 0.0 111.047 175.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -82.65 141.08 32.77 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.284 1.034 . . . . 0.0 111.544 176.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -127.86 140.52 51.97 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.749 1.62 . . . . 0.0 111.946 -176.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 39.5 p -73.2 -22.64 60.41 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.478 1.511 . . . . 0.0 114.262 -174.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -149.31 148.09 29.12 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.037 1.735 . . . . 0.0 109.495 178.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.7 p -58.36 -38.89 72.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 CA-C-O 118.683 -0.675 . . . . 0.0 111.852 172.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -64.89 -33.07 75.13 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.881 1.219 . . . . 0.0 112.33 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -71.02 -36.15 72.29 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 122.973 0.509 . . . . 0.0 111.552 173.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.86 -39.8 95.54 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.606 0.763 . . . . 0.0 112.505 175.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 15.2 mm -60.49 -45.3 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 118.633 0.651 . . . . 0.0 110.594 178.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -63.45 -39.15 93.72 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.174 0.59 . . . . 0.0 112.031 178.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -60.24 -45.66 92.49 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 118.759 0.708 . . . . 0.0 112.681 170.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 59.9 mt -60.62 -44.67 97.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 O-C-N 121.57 -0.706 . . . . 0.0 110.416 175.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 43.0 mtt-85 -67.44 -18.81 65.23 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 115.502 1.668 . . . . 0.0 115.502 176.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -97.65 -38.92 9.33 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.138 0.975 . . . . 0.0 113.313 178.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.11 -26.66 11.02 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.925 1.29 . . . . 0.0 114.384 -173.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 42.2 m-70 -133.35 31.58 3.76 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.683 1.593 . . . . 0.0 112.507 -171.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.2 143.32 64.61 Favored Pre-proline 0 CA--C 1.553 1.079 0 N-CA-C 115.942 1.83 . . . . 0.0 115.942 -166.541 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -88.28 4.86 5.5 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 124.062 3.174 . . . . 0.0 114.744 -177.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 52.32 37.92 23.59 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 126.359 1.864 . . . . 0.0 113.33 -170.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 32.4 t70 . . . . . 0 C--O 1.252 1.206 0 C-N-CA 126.53 1.932 . . . . 0.0 112.662 -176.583 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.58 0 N-CA-C 111.831 -0.508 . . . . 0.0 111.831 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.1 p -75.91 158.93 31.45 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.754 1.221 . . . . 0.0 113.205 177.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.9 p -77.4 155.98 31.48 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.776 1.231 . . . . 0.0 113.061 177.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.85 152.38 50.27 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 124.159 0.885 . . . . 0.0 113.613 177.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.2 p -78.92 -16.02 57.54 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 -178.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.9 p -147.07 148.0 31.19 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.572 1.549 . . . . 0.0 112.171 177.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.56 -22.47 69.85 Favored Glycine 0 CA--C 1.536 1.39 0 N-CA-C 115.168 0.827 . . . . 0.0 115.168 -175.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt 45.91 60.91 13.43 Favored Pre-proline 0 N--CA 1.481 1.113 0 C-N-CA 126.579 1.952 . . . . 0.0 113.194 176.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -65.51 -27.57 54.0 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 124.211 3.274 . . . . 0.0 115.42 -173.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -82.73 94.66 7.65 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.025 0.53 . . . . 0.0 111.112 -176.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -90.73 148.47 22.56 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.28 1.832 . . . . 0.0 111.943 -178.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.2 t -77.82 134.28 64.99 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 124.357 1.063 . . . . 0.0 110.145 171.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -78.51 -7.11 15.77 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 123.965 3.11 . . . . 0.0 112.324 171.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -113.08 -26.32 8.52 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.859 1.263 . . . . 0.0 113.295 -170.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.4 p -146.34 -173.8 4.28 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.289 1.036 . . . . 0.0 113.327 172.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.8 m -74.11 0.84 12.6 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.249 1.42 . . . . 0.0 114.713 -177.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -61.89 146.75 48.87 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.287 1.435 . . . . 0.0 113.972 -178.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.17 151.91 35.15 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.866 1.266 . . . . 0.0 112.035 169.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.2 t -143.78 166.31 25.24 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.643 1.177 . . . . 0.0 112.443 173.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.2 -1.04 57.61 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.084 1.354 . . . . 0.0 114.281 177.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 54.9 mt -133.58 134.86 56.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 125.386 1.474 . . . . 0.0 109.939 -171.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -63.27 -39.72 95.39 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.717 0.807 . . . . 0.0 112.836 178.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.18 -35.76 76.08 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.874 0.869 . . . . 0.0 113.073 174.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -71.1 -25.15 62.47 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.506 -0.746 . . . . 0.0 112.452 175.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.1 tp -76.84 -45.38 28.66 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.069 0.85 . . . . 0.0 111.019 168.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -53.67 -47.18 70.65 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.205 0.912 . . . . 0.0 111.59 176.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.3 -34.07 66.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 123.553 0.741 . . . . 0.0 112.266 -177.119 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -69.05 -38.05 78.89 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.614 1.166 . . . . 0.0 112.778 178.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 62.0 mt -64.75 -23.45 67.25 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.606 0.763 . . . . 0.0 112.707 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -58.99 -36.32 74.7 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.103 0.961 . . . . 0.0 112.272 174.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -67.71 -27.94 67.24 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 125.08 1.352 . . . . 0.0 112.78 -177.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -76.39 -5.34 46.84 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 174.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.5 p -78.21 167.33 21.56 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 119.699 1.136 . . . . 0.0 112.232 170.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.31 -1.23 86.09 Favored Glycine 0 CA--C 1.538 1.489 0 O-C-N 121.313 -0.867 . . . . 0.0 114.789 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -81.93 149.04 28.42 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.266 1.427 . . . . 0.0 111.27 170.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.4 mmtt -77.49 108.72 10.86 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.692 0.797 . . . . 0.0 111.783 176.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -99.68 120.72 40.15 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 125.168 1.387 . . . . 0.0 109.374 169.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.72 147.38 23.04 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.607 1.163 . . . . 0.0 112.892 176.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.8 t -67.61 142.85 56.31 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 122.203 1.001 . . . . 0.0 111.59 171.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -82.12 -5.09 58.17 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.856 0.863 . . . . 0.0 112.113 175.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -122.08 -26.59 4.71 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.513 1.125 . . . . 0.0 113.621 -170.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 29.4 p -140.22 -178.28 5.4 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.33 1.052 . . . . 0.0 113.321 171.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.8 m -73.72 5.14 4.23 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.351 1.46 . . . . 0.0 114.083 177.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -61.22 146.56 47.33 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.008 0.923 . . . . 0.0 112.718 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 80.6 p -138.66 154.9 48.65 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 125.019 1.328 . . . . 0.0 112.11 170.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 17.3 t -147.57 152.56 38.16 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.064 0.946 . . . . 0.0 112.171 -175.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 64.6 mt -86.63 -2.07 58.2 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.006 1.322 . . . . 0.0 113.343 172.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.2 t -133.37 124.53 27.34 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 125.828 1.651 . . . . 0.0 111.608 177.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -60.73 -33.15 72.48 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 125.459 1.504 . . . . 0.0 113.167 172.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -75.31 -35.19 48.94 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 123.756 0.693 . . . . 0.0 112.934 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -71.89 -34.78 69.43 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.286 -1.126 . . . . 0.0 111.849 169.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.0 tp -62.29 -38.73 90.48 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.5 -0.75 . . . . 0.0 112.21 171.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -57.79 -50.28 73.79 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.486 -0.758 . . . . 0.0 110.877 170.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.6 t -59.18 -40.17 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 118.974 0.806 . . . . 0.0 111.897 177.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -56.74 -47.3 80.32 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.547 0.739 . . . . 0.0 111.803 175.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 87.7 mt -71.16 -40.55 74.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 O-C-N 120.766 -1.209 . . . . 0.0 111.29 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -67.41 -11.94 59.02 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.642 1.577 . . . . 0.0 114.069 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -116.22 -41.11 3.18 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 176.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 38.7 t -88.85 -45.62 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-N 118.374 0.534 . . . . 0.0 111.251 -173.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -105.55 17.45 23.83 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.323 1.449 . . . . 0.0 113.599 -175.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -63.71 125.25 23.7 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 126.002 1.721 . . . . 0.0 111.207 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt 52.76 41.49 31.59 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 126.872 2.069 . . . . 0.0 114.026 -179.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 17.1 tt -72.27 143.03 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 124.677 1.191 . . . . 0.0 110.787 174.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -89.39 108.83 19.86 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.198 0.599 . . . . 0.0 111.548 -172.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -82.54 166.25 19.44 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.201 1.401 . . . . 0.0 110.194 169.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 42.5 p-80 -134.95 148.39 50.01 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 170.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 44.6 t -70.63 134.92 48.0 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.474 1.509 . . . . 0.0 112.252 175.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.1 -3.19 51.16 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 178.163 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -108.33 -52.91 2.7 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.419 1.088 . . . . 0.0 112.244 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 23.5 p -111.93 0.2 15.99 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -173.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? 59.04 15.88 4.33 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 126.577 1.951 . . . . 0.0 114.439 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -64.35 138.28 58.35 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.164 1.386 . . . . 0.0 110.493 171.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -88.11 144.81 26.28 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.875 0.87 . . . . 0.0 112.504 176.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -134.14 127.62 32.43 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.868 1.667 . . . . 0.0 111.927 -174.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 49.7 m -79.96 -8.13 59.17 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -178.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -138.96 133.9 32.4 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.424 1.49 . . . . 0.0 109.515 171.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.75 -36.77 73.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 CA-C-O 118.827 -0.606 . . . . 0.0 111.513 174.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -64.47 -34.58 78.54 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.865 1.211 . . . . 0.0 112.079 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -72.23 -32.35 66.64 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 174.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.6 tp -61.92 -41.35 97.83 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 118.303 0.501 . . . . 0.0 111.804 171.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 13.9 mm -61.94 -47.56 92.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 CA-C-N 118.575 0.625 . . . . 0.0 110.459 177.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -59.4 -41.1 88.65 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.403 0.681 . . . . 0.0 111.815 178.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -60.21 -45.99 91.27 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.99 0.916 . . . . 0.0 112.962 171.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 61.8 mt -62.85 -42.83 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-N 119.22 0.918 . . . . 0.0 110.782 176.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 77.9 mtp85 -64.81 -23.22 67.17 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 175.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -97.27 -41.66 8.17 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.641 1.177 . . . . 0.0 113.671 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -104.79 -25.46 12.64 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.977 1.311 . . . . 0.0 114.189 -171.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -128.8 26.94 5.52 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.11 1.364 . . . . 0.0 113.225 -172.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -53.39 138.47 49.18 Favored Pre-proline 0 CA--C 1.553 1.077 0 C-N-CA 125.697 1.599 . . . . 0.0 114.646 -172.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -53.32 137.6 64.34 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 124.486 3.458 . . . . 0.0 114.336 175.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -99.37 -4.98 30.41 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.741 1.217 . . . . 0.0 113.707 -178.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 C--O 1.254 1.298 0 C-N-CA 126.654 1.982 . . . . 0.0 112.603 -179.677 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.532 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.5 m -136.88 153.3 50.79 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.198 1.399 . . . . 0.0 112.134 -175.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -76.0 -14.18 60.23 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -175.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.78 -168.36 53.29 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 124.605 1.098 . . . . 0.0 114.442 -178.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.7 p -90.55 5.58 47.19 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.81 1.644 . . . . 0.0 114.77 -176.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.8 m -63.04 155.3 28.09 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.66 1.584 . . . . 0.0 114.155 -176.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.08 167.82 44.0 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 124.97 1.272 . . . . 0.0 114.252 -178.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.0 mttt 46.78 60.69 14.53 Favored Pre-proline 0 N--CA 1.479 0.992 0 C-N-CA 126.188 1.795 . . . . 0.0 112.966 -175.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -60.99 -32.01 91.93 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 124.382 3.388 . . . . 0.0 115.19 -174.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -82.56 104.74 13.05 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.627 0.771 . . . . 0.0 110.633 -175.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -98.11 149.66 22.27 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.285 1.434 . . . . 0.0 112.124 -176.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.9 t -77.07 133.72 68.7 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 123.595 0.758 . . . . 0.0 109.991 169.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -77.42 -7.81 17.04 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 123.715 2.943 . . . . 0.0 112.318 173.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -116.06 -24.89 7.86 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -171.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.1 p -143.49 -172.65 3.76 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 172.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.5 p -75.87 -0.12 20.18 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.314 1.446 . . . . 0.0 114.68 -178.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -60.28 146.5 43.66 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.893 1.277 . . . . 0.0 114.039 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.99 154.6 39.59 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.857 1.263 . . . . 0.0 111.919 170.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.6 t -146.46 167.31 23.97 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.651 1.18 . . . . 0.0 112.602 173.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.25 -0.87 57.39 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.462 1.505 . . . . 0.0 114.536 176.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 56.0 mt -135.46 135.17 51.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 125.177 1.391 . . . . 0.0 110.206 -171.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -62.65 -40.24 96.41 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.807 0.843 . . . . 0.0 112.561 177.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.01 76.87 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.943 0.897 . . . . 0.0 112.874 175.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -70.53 -25.57 63.18 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.54 -0.725 . . . . 0.0 112.41 174.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.0 tp -76.96 -44.81 29.89 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 118.941 0.791 . . . . 0.0 111.084 169.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -53.86 -45.8 71.07 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.14 0.882 . . . . 0.0 111.499 176.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.2 -34.29 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 C-N-CA 123.572 0.749 . . . . 0.0 112.403 -176.611 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -67.79 -39.96 83.99 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.804 1.242 . . . . 0.0 112.766 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.0 mt -61.21 -21.52 63.91 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.975 0.91 . . . . 0.0 113.156 -178.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -59.72 -22.53 62.17 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.719 1.607 . . . . 0.0 114.118 -178.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.9 ptpt -82.58 -22.2 34.93 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 176.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -87.85 0.93 55.18 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.041 1.336 . . . . 0.0 114.503 -174.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.8 p -77.69 139.32 39.42 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 120.781 -1.199 . . . . 0.0 112.139 174.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 161.48 -164.05 34.86 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 123.517 0.58 . . . . 0.0 113.314 -171.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -69.99 132.94 46.7 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.947 -0.737 . . . . 0.0 111.867 175.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.3 mmtt -109.27 103.09 11.98 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.873 1.269 . . . . 0.0 111.246 -171.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -83.48 101.25 11.28 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 126.328 1.851 . . . . 0.0 109.02 178.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -93.57 144.18 25.61 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.825 1.25 . . . . 0.0 113.247 -174.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.8 t -69.23 140.75 54.54 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 122.11 0.957 . . . . 0.0 111.678 172.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -84.1 -4.02 58.49 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.82 0.848 . . . . 0.0 111.962 173.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -120.42 -27.22 5.24 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.974 1.309 . . . . 0.0 113.245 -170.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.3 p -139.88 -177.4 4.96 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.515 1.126 . . . . 0.0 112.904 171.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.9 m -74.16 5.41 4.44 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.198 1.399 . . . . 0.0 114.104 177.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -62.3 145.81 52.74 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.782 1.233 . . . . 0.0 113.213 -178.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 77.6 p -140.53 156.24 46.37 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 125.271 1.428 . . . . 0.0 112.102 169.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.4 t -144.64 167.24 23.02 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.695 1.198 . . . . 0.0 111.232 176.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -95.97 12.18 31.32 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.483 1.513 . . . . 0.0 112.377 172.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.8 t -138.85 128.5 24.73 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.491 1.516 . . . . 0.0 112.475 174.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.3 pttt -61.1 -33.63 73.67 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.466 1.506 . . . . 0.0 112.333 169.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.34 -44.26 75.26 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 123.843 0.735 . . . . 0.0 112.43 177.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -71.26 -32.78 69.14 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.47 -1.017 . . . . 0.0 112.385 175.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.3 tp -58.55 -43.09 89.21 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 119.012 0.824 . . . . 0.0 111.845 169.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.9 tttt -61.16 -47.16 87.49 Favored 'General case' 0 N--CA 1.463 0.225 0 O-C-N 121.579 -0.701 . . . . 0.0 110.406 176.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.4 t -61.4 -40.64 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 122.914 0.486 . . . . 0.0 111.772 177.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -57.34 -45.4 84.36 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.041 0.936 . . . . 0.0 112.26 175.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.4 mt -71.15 -41.83 75.66 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 O-C-N 121.045 -1.034 . . . . 0.0 111.001 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -64.52 -21.8 66.79 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.065 1.346 . . . . 0.0 113.64 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -102.95 -41.85 6.0 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.689 1.196 . . . . 0.0 113.864 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 25.2 t -92.33 -45.25 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-N 118.218 0.463 . . . . 0.0 111.646 -173.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -112.65 18.91 17.94 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 115.365 1.617 . . . . 0.0 115.365 -169.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -85.43 136.97 33.22 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.155 1.382 . . . . 0.0 111.364 -178.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.7 tttp 50.87 50.55 18.83 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 126.419 1.887 . . . . 0.0 112.881 -172.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 14.5 tt -99.09 144.08 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 125.595 1.558 . . . . 0.0 112.493 -175.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -85.63 153.04 22.65 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.798 1.239 . . . . 0.0 111.927 171.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -136.83 167.74 20.88 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.195 1.398 . . . . 0.0 112.002 -174.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 45.0 p-80 -139.46 149.3 43.86 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.558 0.743 . . . . 0.0 112.22 168.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 53.3 t -76.15 122.09 23.8 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.97 1.308 . . . . 0.0 109.733 169.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.78 -22.21 62.4 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 120.806 -1.184 . . . . 0.0 113.496 178.087 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -81.95 -36.09 28.35 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.453 1.101 . . . . 0.0 113.661 -173.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 29.2 p -126.58 0.24 6.84 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 179.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . 0.337 63.2 mttp 58.08 28.05 15.79 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.959 2.104 . . . . 0.0 114.372 174.33 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -76.39 137.19 39.61 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 127.082 2.153 . . . . 0.0 110.247 169.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -91.66 146.94 23.37 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.174 0.99 . . . . 0.0 112.209 176.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -134.48 131.93 38.66 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.968 1.707 . . . . 0.0 111.051 -173.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 57.7 p -83.16 -6.47 59.49 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.13 1.372 . . . . 0.0 113.706 176.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -139.95 131.92 27.77 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.27 1.828 . . . . 0.0 110.566 177.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.8 p -65.81 -37.67 80.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-O 118.84 -0.6 . . . . 0.0 111.841 173.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -66.84 -37.64 84.88 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 120.222 1.373 . . . . 0.0 111.887 -177.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -70.17 -28.32 65.24 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 171.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.0 tp -62.59 -42.36 99.51 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 119.524 1.056 . . . . 0.0 111.686 170.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 15.9 mm -62.06 -45.22 99.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 O-C-N 121.707 -0.621 . . . . 0.0 110.531 177.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -60.06 -43.42 95.43 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.365 0.666 . . . . 0.0 111.882 176.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 66.6 t60 -58.48 -44.46 89.35 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.94 0.896 . . . . 0.0 112.504 172.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 54.4 mt -62.94 -45.38 99.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 O-C-N 121.566 -0.709 . . . . 0.0 111.065 175.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -63.05 -28.5 70.13 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 177.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -90.68 -45.9 8.58 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.236 1.014 . . . . 0.0 113.435 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -99.26 -25.63 14.44 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.726 1.21 . . . . 0.0 114.13 -172.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -130.7 28.29 4.88 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.673 1.589 . . . . 0.0 112.771 -172.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -34.57 114.71 0.48 Allowed Pre-proline 0 CA--C 1.555 1.141 0 C-N-CA 127.563 2.345 . . . . 0.0 115.054 -169.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -85.06 60.26 5.61 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 123.712 2.941 . . . . 0.0 113.101 -169.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -89.17 -10.51 46.88 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.418 1.487 . . . . 0.0 113.951 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 25.3 t0 . . . . . 0 C--O 1.253 1.267 0 C-N-CA 127.614 2.366 . . . . 0.0 114.866 179.688 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.595 0 N-CA-C 112.133 -0.387 . . . . 0.0 112.133 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.4 t -149.5 150.41 32.27 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.069 1.348 . . . . 0.0 111.85 178.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.2 m -76.36 -12.68 60.1 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.69 1.196 . . . . 0.0 113.268 171.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.07 -169.57 50.86 Favored Glycine 0 CA--C 1.537 1.463 0 C-N-CA 124.733 1.158 . . . . 0.0 114.076 -176.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.4 t -74.24 148.22 41.72 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.031 0.933 . . . . 0.0 112.575 178.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.5 m -70.94 -17.26 62.69 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.116 0.967 . . . . 0.0 112.89 169.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.85 144.72 4.27 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 125.831 1.682 . . . . 0.0 113.073 176.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt 49.6 60.48 15.32 Favored Pre-proline 0 N--CA 1.48 1.028 0 C-N-CA 126.505 1.922 . . . . 0.0 113.66 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -61.61 -32.12 87.25 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 124.377 3.384 . . . . 0.0 115.402 -176.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -81.92 105.65 13.21 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.574 0.75 . . . . 0.0 111.03 -175.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -99.9 149.02 23.84 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.264 1.425 . . . . 0.0 112.357 -176.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.3 t -76.84 134.84 68.19 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 123.684 0.794 . . . . 0.0 110.169 169.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -77.58 -8.54 17.12 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 123.737 2.958 . . . . 0.0 112.341 173.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -115.13 -25.71 7.98 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -171.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.8 p -142.75 -174.57 4.2 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 174.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.8 p -75.02 0.78 14.79 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.403 1.481 . . . . 0.0 114.692 -178.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -60.13 145.31 47.28 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.946 1.298 . . . . 0.0 114.017 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -146.91 152.16 38.23 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.097 1.359 . . . . 0.0 111.823 171.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.4 t -146.62 168.07 22.18 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.558 1.143 . . . . 0.0 112.523 172.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.65 -0.99 57.88 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.334 1.453 . . . . 0.0 114.332 177.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 56.4 mt -135.24 135.49 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 125.236 1.414 . . . . 0.0 110.248 -170.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -63.23 -40.02 96.28 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.952 0.901 . . . . 0.0 112.743 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.97 -36.01 76.2 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.724 0.81 . . . . 0.0 113.032 174.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -71.03 -26.4 63.09 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.447 -0.783 . . . . 0.0 112.386 175.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.5 tp -75.82 -44.86 39.0 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 119.006 0.821 . . . . 0.0 111.087 169.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -54.36 -46.57 73.01 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 118.966 0.803 . . . . 0.0 111.606 176.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.25 -34.12 64.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 123.395 0.678 . . . . 0.0 112.381 -176.372 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -67.57 -40.08 84.9 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.575 1.15 . . . . 0.0 112.836 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 61.8 mt -61.51 -21.86 64.6 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.06 0.944 . . . . 0.0 113.358 -178.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.0 mtp85 -58.17 -22.93 53.47 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.809 1.644 . . . . 0.0 114.279 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -83.03 -23.1 33.38 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 178.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 -87.18 -7.46 57.92 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -172.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.8 p -70.54 146.35 50.23 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 121.093 -1.004 . . . . 0.0 113.236 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 163.29 -173.51 39.45 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 124.424 1.011 . . . . 0.0 112.985 -176.214 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -74.71 127.32 32.86 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.973 -0.722 . . . . 0.0 112.018 176.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -118.07 111.27 18.68 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.87 1.268 . . . . 0.0 111.16 177.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -91.83 106.36 18.41 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 126.318 1.847 . . . . 0.0 109.384 178.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.02 144.82 25.13 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.704 1.201 . . . . 0.0 113.089 -175.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.1 t -68.77 141.49 55.19 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 122.217 1.008 . . . . 0.0 111.81 171.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -82.78 -7.24 59.67 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.919 0.887 . . . . 0.0 111.892 174.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -120.04 -25.96 5.66 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.704 1.202 . . . . 0.0 113.804 -171.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 29.5 p -139.19 -177.91 5.12 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 169.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.1 m -72.66 3.36 5.12 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.299 1.439 . . . . 0.0 114.045 176.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -60.2 145.45 47.11 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.196 0.998 . . . . 0.0 113.127 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.7 p -142.84 149.65 38.85 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 125.486 1.515 . . . . 0.0 112.004 173.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 18.6 t -140.23 152.16 45.73 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.663 1.185 . . . . 0.0 112.208 -178.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -83.57 -7.8 59.45 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.503 1.121 . . . . 0.0 112.713 172.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.8 m -129.07 124.79 35.73 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.881 1.672 . . . . 0.0 112.016 -176.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -66.11 -37.15 85.03 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.181 1.392 . . . . 0.0 113.337 -173.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.19 -34.95 91.0 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 123.569 0.604 . . . . 0.0 113.344 177.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -74.23 -31.81 62.74 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.407 -1.055 . . . . 0.0 112.237 175.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 54.6 tp -60.52 -43.04 97.53 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 119.389 0.995 . . . . 0.0 111.239 169.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -58.16 -53.16 61.43 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.885 -0.509 . . . . 0.0 110.28 175.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 69.8 t -61.24 -36.95 76.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -55.77 -43.47 76.77 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.327 0.651 . . . . 0.0 111.883 173.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 78.7 mt -72.03 -37.29 59.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 O-C-N 120.873 -1.142 . . . . 0.0 111.062 175.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -69.9 -10.98 60.47 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.441 1.274 . . . . 0.0 114.441 177.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.7 ptt180 -114.68 -39.97 3.66 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 179.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.3 t -92.24 -45.36 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 C-N-CA 122.641 0.376 . . . . 0.0 111.306 -175.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 65.5 m-70 -110.48 22.92 14.89 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.041 1.336 . . . . 0.0 114.23 -172.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.75 137.12 53.79 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.409 1.084 . . . . 0.0 110.83 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 83.4 tttt 56.22 75.93 0.32 Allowed 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 126.669 1.988 . . . . 0.0 112.431 -170.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 11.9 tt -141.04 157.0 22.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.837 1.655 . . . . 0.0 111.469 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -87.43 165.24 15.7 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.334 1.454 . . . . 0.0 112.537 171.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.0 mp0 -129.25 169.79 14.39 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.988 1.715 . . . . 0.0 112.338 -175.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -132.26 147.3 52.4 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.206 1.003 . . . . 0.0 111.873 167.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 52.8 t -72.43 130.36 40.52 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.501 1.521 . . . . 0.0 111.443 175.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.97 -17.17 61.04 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 179.154 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -91.47 -40.57 11.33 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.318 1.047 . . . . 0.0 112.818 -176.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.6 p -128.98 0.77 5.29 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 115.377 1.621 . . . . 0.0 115.377 -174.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 60.42 17.37 7.15 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 126.722 2.009 . . . . 0.0 114.309 175.46 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -67.42 134.67 51.85 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.426 1.49 . . . . 0.0 110.301 170.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -87.2 142.85 27.6 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.55 0.74 . . . . 0.0 112.301 177.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -128.1 132.07 49.0 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.631 1.172 . . . . 0.0 111.313 -177.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.8 m -79.83 -20.03 47.03 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.588 1.155 . . . . 0.0 113.727 -176.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -138.31 130.7 28.96 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.761 1.624 . . . . 0.0 109.922 176.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.19 -35.25 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -174.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -58.77 -36.02 73.71 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 121.182 -0.949 . . . . 0.0 112.462 178.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -78.37 -25.25 46.22 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 175.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.1 tp -64.39 -43.68 93.71 Favored 'General case' 0 CA--C 1.537 0.442 0 CA-C-N 119.16 0.891 . . . . 0.0 110.896 169.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 17.1 mm -61.3 -45.18 99.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 O-C-N 121.731 -0.606 . . . . 0.0 110.511 176.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -61.16 -43.08 99.44 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.056 0.942 . . . . 0.0 111.939 177.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 59.6 t60 -59.92 -44.36 94.35 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.267 1.027 . . . . 0.0 112.55 171.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 58.1 mt -60.81 -46.92 95.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 O-C-N 121.64 -0.662 . . . . 0.0 110.712 176.077 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -62.07 -38.14 87.66 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 175.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -81.74 -40.11 23.2 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 -177.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -101.69 -29.94 11.62 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -171.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -123.56 -5.32 8.17 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 -171.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 18.38 72.15 0.21 Allowed Pre-proline 0 CA--C 1.553 1.096 0 C-N-CA 130.446 3.498 . . . . 0.0 116.26 178.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -64.74 145.84 87.31 Favored 'Trans proline' 0 CA--C 1.538 0.686 0 C-N-CA 123.697 2.931 . . . . 0.0 112.679 -177.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -106.1 0.35 25.4 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.91 1.284 . . . . 0.0 113.829 -172.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.2 t70 . . . . . 0 C--O 1.253 1.276 0 C-N-CA 126.566 1.947 . . . . 0.0 112.58 -179.722 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.648 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.4 m -72.31 143.02 48.84 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.249 1.02 . . . . 0.0 112.912 -176.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m -56.21 -31.92 63.92 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.478 1.511 . . . . 0.0 114.633 -174.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.83 -7.46 87.39 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 124.448 1.023 . . . . 0.0 115.126 177.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.4 m -127.83 -34.06 2.2 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -171.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -156.76 164.2 38.38 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.239 0.927 . . . . 0.0 113.377 -175.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.19 179.23 51.82 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 125.368 1.461 . . . . 0.0 116.161 170.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt 49.69 57.21 18.07 Favored Pre-proline 0 N--CA 1.481 1.079 0 C-N-CA 127.424 2.29 . . . . 0.0 114.36 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -64.61 -29.42 60.78 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 124.553 3.502 . . . . 0.0 115.806 -177.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -87.55 106.22 17.85 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.185 0.594 . . . . 0.0 111.192 -176.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -100.91 150.19 23.11 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 125.274 1.43 . . . . 0.0 112.035 -178.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.2 t -76.2 137.13 68.58 Favored Pre-proline 0 CA--C 1.548 0.875 0 C-N-CA 124.3 1.04 . . . . 0.0 110.521 170.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -77.71 -11.48 16.88 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 123.905 3.07 . . . . 0.0 112.456 174.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -111.7 -26.96 8.73 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -173.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.0 p -141.76 -176.81 4.91 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 177.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.5 p -73.73 0.46 12.92 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.32 1.448 . . . . 0.0 114.623 -177.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -60.07 143.46 52.0 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.908 1.283 . . . . 0.0 113.778 178.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.12 152.93 35.53 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.699 1.2 . . . . 0.0 112.243 169.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 t -147.11 170.68 16.68 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.829 1.251 . . . . 0.0 112.614 177.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -92.55 -0.94 57.27 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.502 1.521 . . . . 0.0 114.242 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 65.6 mt -135.9 134.19 50.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.354 1.462 . . . . 0.0 109.9 -170.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -63.04 -38.87 92.9 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 121.537 -0.727 . . . . 0.0 112.577 178.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.04 -34.31 74.67 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.958 0.903 . . . . 0.0 113.212 175.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -68.4 -37.97 80.86 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.44 -0.787 . . . . 0.0 111.314 173.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 54.9 tp -65.7 -45.23 83.59 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.24 -0.913 . . . . 0.0 111.521 171.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -54.5 -46.42 73.45 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.276 0.944 . . . . 0.0 111.668 176.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.29 -35.96 70.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 123.183 0.593 . . . . 0.0 112.255 -176.625 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -65.53 -41.93 92.56 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.05 0.94 . . . . 0.0 112.635 178.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 61.6 mt -60.65 -21.26 62.59 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.28 1.032 . . . . 0.0 113.276 -178.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -57.16 -30.26 64.31 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.687 1.195 . . . . 0.0 113.413 179.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -75.33 -21.34 58.47 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 177.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -89.25 11.81 17.8 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 126.15 1.78 . . . . 0.0 113.879 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 53.8 p -80.96 169.02 18.06 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.938 1.295 . . . . 0.0 113.55 -176.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.29 73.86 1.22 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.095 -1.202 . . . . 0.0 110.095 -169.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -139.55 159.37 42.32 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 126.564 1.945 . . . . 0.0 111.468 -168.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -73.15 109.59 6.8 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 122.195 0.998 . . . . 0.0 111.354 173.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -91.47 120.86 32.67 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 125.301 1.441 . . . . 0.0 108.739 169.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.57 148.33 25.54 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.022 0.929 . . . . 0.0 113.282 177.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.3 t -64.31 142.12 58.53 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 122.81 1.29 . . . . 0.0 111.457 169.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -77.22 -8.28 57.3 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 114.733 -1.121 . . . . 0.0 112.153 175.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -125.36 -25.64 3.73 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 -169.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 26.7 p -137.82 -177.96 5.04 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 169.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.0 m -74.39 4.44 5.91 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.439 1.496 . . . . 0.0 114.057 177.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -60.57 149.07 35.87 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.315 1.046 . . . . 0.0 112.831 178.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 47.9 p -141.5 153.59 45.01 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.967 1.307 . . . . 0.0 112.682 173.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 7.7 t -148.25 153.17 38.36 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.195 0.998 . . . . 0.0 112.329 175.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 97.3 mt -82.59 -2.51 53.98 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.736 1.214 . . . . 0.0 113.623 171.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.2 t -126.65 121.78 33.11 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.678 1.591 . . . . 0.0 110.664 177.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -65.98 -30.82 71.44 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.655 1.182 . . . . 0.0 112.707 176.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.31 -38.22 71.03 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 123.644 0.64 . . . . 0.0 112.889 174.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 60.3 m80 -68.75 -39.79 80.13 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.448 -1.03 . . . . 0.0 112.594 172.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 62.8 tp -59.14 -39.52 82.66 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.174 0.99 . . . . 0.0 112.169 170.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -57.58 -53.75 54.58 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 118.449 -0.786 . . . . 0.0 110.32 169.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 85.3 t -55.13 -40.63 55.99 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-N 119.351 0.978 . . . . 0.0 112.371 177.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -56.63 -45.92 81.26 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 118.789 0.722 . . . . 0.0 112.063 175.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 91.9 mt -72.26 -38.72 62.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 O-C-N 120.696 -1.253 . . . . 0.0 111.463 178.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -69.68 -11.75 61.09 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.506 1.522 . . . . 0.0 113.451 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -114.83 -42.39 3.24 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.727 1.211 . . . . 0.0 114.23 176.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.3 t -88.99 -47.31 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 118.251 0.478 . . . . 0.0 111.109 -174.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -105.59 23.45 13.81 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.454 1.502 . . . . 0.0 113.587 -175.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -66.61 148.57 51.72 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.408 1.483 . . . . 0.0 111.183 175.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt 58.8 70.05 0.68 Allowed 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 127.406 2.282 . . . . 0.0 112.566 -169.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 7.7 tt -141.45 172.82 9.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 126.646 1.978 . . . . 0.0 111.802 -173.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -81.18 149.74 28.96 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.45 1.5 . . . . 0.0 113.482 172.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.6 mp0 -142.19 174.46 10.59 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 127.06 2.144 . . . . 0.0 111.224 175.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -134.91 150.78 50.46 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.769 0.828 . . . . 0.0 112.601 167.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 50.8 t -77.28 131.98 38.42 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.92 1.688 . . . . 0.0 111.956 176.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.51 -15.19 60.42 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -93.0 -37.54 12.14 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.221 1.009 . . . . 0.0 112.913 -177.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 23.8 p -131.46 0.18 4.03 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 115.512 1.671 . . . . 0.0 115.512 -173.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt 56.65 19.05 4.01 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 126.317 1.847 . . . . 0.0 115.022 -178.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -65.95 136.52 56.2 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.466 1.106 . . . . 0.0 110.144 169.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 62.8 mtpt -87.77 141.31 28.7 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.696 0.798 . . . . 0.0 111.98 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -125.14 157.9 35.25 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 125.992 1.717 . . . . 0.0 111.312 -177.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.5 t -118.49 5.15 11.72 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.974 1.309 . . . . 0.0 113.887 -175.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -153.52 135.37 14.58 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 125.905 1.682 . . . . 0.0 108.445 168.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.9 p -59.66 -37.38 70.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-O 118.812 -0.613 . . . . 0.0 111.181 177.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -63.64 -36.92 85.43 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.517 1.053 . . . . 0.0 111.876 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -74.09 -27.2 60.78 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 174.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.8 tp -64.47 -42.1 96.11 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.965 0.802 . . . . 0.0 111.336 169.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 15.0 mm -61.7 -46.58 96.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 O-C-N 121.728 -0.608 . . . . 0.0 110.377 174.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -57.7 -41.9 82.65 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.333 1.053 . . . . 0.0 111.991 178.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 60.0 t60 -61.37 -44.92 96.34 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.502 1.121 . . . . 0.0 112.979 171.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 57.9 mt -63.21 -42.0 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 O-C-N 121.321 -0.862 . . . . 0.0 110.83 176.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 77.4 mtp85 -65.06 -21.69 66.86 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 114.638 1.348 . . . . 0.0 114.638 174.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -97.4 -42.36 7.78 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.598 1.159 . . . . 0.0 113.66 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.29 -25.44 11.48 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.929 1.292 . . . . 0.0 114.319 -170.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -126.48 27.25 6.19 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.413 1.485 . . . . 0.0 112.564 -174.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -57.55 139.34 81.21 Favored Pre-proline 0 CA--C 1.55 0.959 0 C-N-CA 126.224 1.809 . . . . 0.0 115.312 -169.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -81.24 147.91 16.46 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 124.04 3.16 . . . . 0.0 112.134 175.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -132.17 17.11 4.55 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.292 1.437 . . . . 0.0 113.156 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 C--O 1.254 1.337 0 C-N-CA 126.524 1.929 . . . . 0.0 112.571 178.884 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.538 0 N-CA-C 111.776 -0.53 . . . . 0.0 111.776 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.0 p -81.66 -12.0 58.85 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -178.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -145.63 174.31 11.29 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 126.202 1.801 . . . . 0.0 111.188 177.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.71 -34.46 1.63 Allowed Glycine 0 CA--C 1.538 1.494 0 C-N-CA 125.855 1.693 . . . . 0.0 114.985 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.2 m -77.1 -22.64 52.44 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.489 1.116 . . . . 0.0 113.065 172.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.8 m -81.38 165.17 21.56 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.681 1.592 . . . . 0.0 112.872 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.35 152.5 33.65 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 123.788 0.709 . . . . 0.0 113.072 171.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.6 mttt 48.48 61.43 13.95 Favored Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 125.35 1.46 . . . . 0.0 112.386 -169.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.12 -28.93 88.01 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 124.797 3.665 . . . . 0.0 115.28 -175.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -87.2 101.71 13.77 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.438 0.695 . . . . 0.0 110.992 -177.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -97.55 150.13 21.45 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.516 1.527 . . . . 0.0 111.623 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.1 t -75.97 136.44 69.83 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 124.104 0.962 . . . . 0.0 110.499 170.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -77.6 -10.52 17.19 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 123.874 3.049 . . . . 0.0 112.293 174.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -112.28 -27.38 8.34 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 -173.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.2 p -143.73 -177.49 5.44 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.523 0.935 . . . . 0.0 113.523 178.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.8 m -71.56 -0.3 10.31 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.219 1.408 . . . . 0.0 114.566 -177.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -62.28 145.89 52.48 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.014 1.326 . . . . 0.0 113.921 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -151.13 156.41 40.94 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.635 1.174 . . . . 0.0 111.926 169.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.0 t -146.8 167.07 24.79 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.749 1.22 . . . . 0.0 112.575 173.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.39 -2.15 57.79 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.268 1.427 . . . . 0.0 114.558 175.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 56.1 mt -133.81 135.0 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 125.148 1.379 . . . . 0.0 110.363 -171.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -62.85 -39.8 95.5 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.01 0.924 . . . . 0.0 112.64 177.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.11 -35.64 75.68 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.775 0.83 . . . . 0.0 113.101 173.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -71.57 -25.84 62.37 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.395 -0.816 . . . . 0.0 112.438 175.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.2 tp -76.38 -44.7 35.11 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.404 -0.81 . . . . 0.0 111.035 168.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -53.53 -48.12 69.35 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.237 0.926 . . . . 0.0 111.328 176.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.35 -33.9 66.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 123.467 0.707 . . . . 0.0 112.39 -176.526 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -68.79 -40.8 79.42 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.409 1.083 . . . . 0.0 112.51 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 71.1 mt -63.1 -26.75 68.97 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.689 0.796 . . . . 0.0 112.311 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -54.38 -23.35 15.26 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 125.02 1.328 . . . . 0.0 113.977 175.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 59.4 mttt -83.35 -26.51 30.45 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.911 1.285 . . . . 0.0 113.081 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -81.73 -9.49 59.62 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.539 1.136 . . . . 0.0 113.427 171.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 37.2 p -104.81 -146.69 0.38 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 126.045 1.738 . . . . 0.0 110.95 176.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.01 22.66 9.12 Favored Glycine 0 CA--C 1.534 1.255 0 O-C-N 121.166 -0.959 . . . . 0.0 115.224 174.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -115.15 141.91 47.37 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.699 1.6 . . . . 0.0 110.534 172.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -81.0 108.76 14.96 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.691 0.758 . . . . 0.0 111.86 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -101.69 122.47 43.96 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.413 1.485 . . . . 0.0 109.558 169.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.4 146.85 23.84 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.672 1.189 . . . . 0.0 112.738 174.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.7 t -66.42 142.44 57.58 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 122.216 1.008 . . . . 0.0 111.569 171.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -81.94 -5.0 57.93 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.777 0.831 . . . . 0.0 112.03 175.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -121.96 -26.56 4.76 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.653 1.181 . . . . 0.0 113.668 -170.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.4 p -140.67 -178.55 5.58 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.33 1.052 . . . . 0.0 113.246 171.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.7 m -72.64 4.04 4.38 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.305 1.442 . . . . 0.0 114.151 177.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -61.63 148.49 42.31 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.358 1.063 . . . . 0.0 113.152 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.0 p -142.59 149.84 39.54 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 125.239 1.416 . . . . 0.0 111.848 174.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.7 t -147.38 152.67 38.55 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.638 0.775 . . . . 0.0 112.26 176.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -78.43 -2.44 38.41 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.524 1.529 . . . . 0.0 112.878 175.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.9 t -132.11 126.38 33.58 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.903 1.681 . . . . 0.0 111.902 177.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.7 pttt -64.92 -30.96 71.98 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.933 1.293 . . . . 0.0 112.733 171.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.69 -37.12 76.47 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 123.655 0.645 . . . . 0.0 112.692 177.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -73.56 -35.57 65.5 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.386 1.093 . . . . 0.0 112.023 170.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.8 tp -61.24 -38.11 85.48 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.509 -0.744 . . . . 0.0 112.336 174.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -57.28 -49.15 76.99 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.721 -0.612 . . . . 0.0 110.956 171.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.46 -39.2 83.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 123.111 0.565 . . . . 0.0 111.683 177.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 65.1 t60 -58.11 -44.21 87.57 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.513 0.725 . . . . 0.0 111.979 174.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 80.9 mt -70.92 -40.71 76.75 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 O-C-N 120.727 -1.233 . . . . 0.0 111.018 177.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -68.81 -16.0 63.66 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.966 1.306 . . . . 0.0 113.947 179.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -106.1 -40.77 5.55 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 176.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.0 t -92.97 -46.37 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 118.175 0.443 . . . . 0.0 111.555 -174.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -107.96 14.03 25.65 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 115.151 1.537 . . . . 0.0 115.151 -170.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.78 122.62 18.08 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.599 1.56 . . . . 0.0 110.355 178.61 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 68.5 mttm 48.59 53.46 12.13 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 126.069 1.747 . . . . 0.0 113.4 -171.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 15.9 tt -60.09 147.1 9.65 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 C-N-CA 124.445 1.098 . . . . 0.0 111.46 169.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -68.02 154.87 40.72 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.004 0.922 . . . . 0.0 112.241 176.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -130.48 172.73 11.57 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 126.337 1.855 . . . . 0.0 110.986 -177.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -138.48 154.05 48.81 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 170.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.8 t -73.66 140.83 46.38 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.604 1.962 . . . . 0.0 113.006 177.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.23 -3.31 58.6 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.623 1.169 . . . . 0.0 113.791 176.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -108.81 -34.42 6.67 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.317 1.047 . . . . 0.0 113.286 -178.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 22.0 p -131.59 4.32 4.26 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 -177.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? 58.66 12.03 2.02 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 126.692 1.997 . . . . 0.0 115.385 179.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -64.71 139.06 58.72 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.049 1.34 . . . . 0.0 111.355 175.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -86.29 145.03 27.1 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.341 1.057 . . . . 0.0 112.111 176.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -132.01 141.61 49.31 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.042 1.737 . . . . 0.0 112.902 -172.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.5 p -76.78 -23.52 52.9 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.002 1.721 . . . . 0.0 114.484 -173.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -148.43 145.64 28.09 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 126.511 1.924 . . . . 0.0 108.418 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.5 p -58.19 -37.86 64.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 CA-C-O 118.698 -0.668 . . . . 0.0 111.373 173.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -63.82 -34.71 78.54 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 119.837 1.198 . . . . 0.0 112.39 177.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -70.88 -33.95 71.11 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 122.778 0.431 . . . . 0.0 111.917 174.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.93 -40.7 98.44 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.031 0.532 . . . . 0.0 111.946 172.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 13.9 mm -61.57 -46.51 96.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 CA-C-N 118.446 0.567 . . . . 0.0 110.282 176.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -59.9 -40.44 88.81 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.637 0.775 . . . . 0.0 112.02 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 58.9 t60 -60.72 -44.65 96.35 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.002 0.921 . . . . 0.0 112.976 170.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 56.7 mt -63.56 -42.79 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 O-C-N 121.258 -0.901 . . . . 0.0 110.858 176.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 71.3 mtp85 -66.0 -19.76 65.96 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 174.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -97.71 -41.86 7.89 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.398 1.079 . . . . 0.0 113.626 178.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.24 -26.02 11.24 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.974 1.31 . . . . 0.0 114.52 -171.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -127.85 27.74 5.68 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.33 1.452 . . . . 0.0 112.51 -173.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -62.15 148.62 88.6 Favored Pre-proline 0 CA--C 1.552 1.041 0 N-CA-C 115.703 1.742 . . . . 0.0 115.703 -168.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -91.22 16.23 1.6 Allowed 'Trans proline' 0 CA--C 1.546 1.079 0 C-N-CA 124.88 3.72 . . . . 0.0 114.202 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 60.8 39.85 16.66 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 126.565 1.946 . . . . 0.0 113.368 -169.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.3 t70 . . . . . 0 C--O 1.252 1.192 0 C-N-CA 126.131 1.773 . . . . 0.0 112.852 172.53 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.558 0 N-CA-C 111.778 -0.529 . . . . 0.0 111.778 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.6 p -76.98 159.04 30.25 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.66 1.184 . . . . 0.0 113.199 177.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.0 p -143.12 153.01 42.46 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.445 1.498 . . . . 0.0 111.816 178.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.25 -44.86 1.68 Allowed Glycine 0 CA--C 1.538 1.504 0 C-N-CA 125.434 1.492 . . . . 0.0 114.578 -177.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.5 p -85.87 -17.89 34.31 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.639 1.576 . . . . 0.0 114.15 176.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.1 t -74.7 148.26 40.71 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.494 1.118 . . . . 0.0 112.332 178.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.83 171.48 42.79 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 124.805 1.193 . . . . 0.0 113.608 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.9 mtmt 47.26 59.39 16.53 Favored Pre-proline 0 N--CA 1.481 1.119 0 C-N-CA 126.671 1.988 . . . . 0.0 113.478 -178.016 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -61.67 -31.58 86.53 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 124.267 3.311 . . . . 0.0 114.589 -176.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -88.66 100.03 12.79 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.293 0.637 . . . . 0.0 111.462 -170.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -95.6 150.49 20.28 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.165 1.786 . . . . 0.0 112.251 -177.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.7 t -76.92 135.92 66.96 Favored Pre-proline 0 CA--C 1.546 0.825 0 C-N-CA 124.765 1.226 . . . . 0.0 110.284 171.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -78.34 -8.52 16.25 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 123.918 3.079 . . . . 0.0 112.523 173.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -114.63 -24.39 8.79 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.538 1.135 . . . . 0.0 113.879 -171.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.4 p -143.58 -173.97 4.11 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 123.875 0.87 . . . . 0.0 113.344 172.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.1 p -75.41 0.31 17.39 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.554 1.541 . . . . 0.0 114.666 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -60.01 145.53 46.0 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.085 1.354 . . . . 0.0 114.046 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.28 152.87 37.87 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.104 1.361 . . . . 0.0 111.617 169.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.8 t -144.34 163.56 33.37 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.16 0.984 . . . . 0.0 112.796 173.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.78 0.62 57.39 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.481 1.512 . . . . 0.0 113.719 175.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.0 mt -128.29 128.49 68.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 125.504 1.522 . . . . 0.0 108.85 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -28.82 67.03 Favored 'General case' 0 N--CA 1.481 1.112 0 O-C-N 121.148 -0.97 . . . . 0.0 113.052 -179.627 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.12 -33.79 76.22 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 169.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -67.96 -38.71 83.08 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.407 -0.808 . . . . 0.0 111.289 172.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.7 tp -63.63 -45.07 91.89 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.157 -0.964 . . . . 0.0 111.907 171.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -55.58 -47.04 77.09 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.235 0.925 . . . . 0.0 111.712 175.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.97 -35.4 68.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 123.155 0.582 . . . . 0.0 112.205 -176.039 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -64.95 -38.01 89.54 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.264 1.026 . . . . 0.0 113.093 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.6 mt -61.92 -21.31 64.65 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 121.444 -0.785 . . . . 0.0 113.037 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.4 mtp85 -62.98 -20.83 65.65 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.606 1.162 . . . . 0.0 113.722 177.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.4 mttm -73.18 -33.96 65.74 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.537 1.535 . . . . 0.0 112.548 174.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -82.21 24.26 0.67 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.007 1.723 . . . . 0.0 114.84 -176.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.3 p -97.74 -178.28 4.06 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.504 1.522 . . . . 0.0 111.725 175.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.91 -146.37 18.1 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 124.014 0.816 . . . . 0.0 112.666 -177.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -69.25 126.57 30.2 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 117.941 0.87 . . . . 0.0 112.932 -173.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.4 mmtt -118.71 104.43 10.6 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 126.084 1.754 . . . . 0.0 110.14 -174.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -80.53 101.45 9.13 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 125.72 1.608 . . . . 0.0 109.307 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.3 144.16 25.88 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.753 1.221 . . . . 0.0 113.018 -174.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 45.8 t -67.79 141.35 56.56 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-O 122.108 0.956 . . . . 0.0 111.735 171.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -84.16 -5.06 59.19 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.831 0.853 . . . . 0.0 111.851 173.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -120.04 -26.73 5.49 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.959 1.304 . . . . 0.0 113.488 -170.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.0 p -139.98 -176.14 4.48 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.375 1.07 . . . . 0.0 113.005 170.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.1 m -75.64 5.86 5.57 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.215 1.406 . . . . 0.0 114.097 177.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -62.18 147.04 48.99 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.558 1.143 . . . . 0.0 113.003 -178.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 82.8 p -141.2 156.24 45.95 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 125.273 1.429 . . . . 0.0 112.333 169.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.4 t -143.51 158.64 43.49 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.158 0.983 . . . . 0.0 112.088 172.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -84.32 -3.66 58.39 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.61 1.164 . . . . 0.0 112.476 170.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.4 t -116.51 130.27 56.66 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.569 1.548 . . . . 0.0 111.873 175.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -68.84 -32.0 71.38 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.437 1.495 . . . . 0.0 111.825 175.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.56 -41.25 66.04 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.241 0.924 . . . . 0.0 112.691 174.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 61.8 m170 -66.75 -31.49 72.17 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.449 -1.03 . . . . 0.0 112.449 176.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 59.0 tp -61.71 -44.22 97.35 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.036 0.834 . . . . 0.0 111.978 170.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.6 tttt -60.57 -47.39 86.4 Favored 'General case' 0 N--CA 1.464 0.236 0 O-C-N 121.589 -0.695 . . . . 0.0 110.343 175.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 96.8 t -60.49 -42.4 91.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 CA-C-N 118.325 0.511 . . . . 0.0 111.721 177.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -56.03 -46.76 78.74 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.009 0.924 . . . . 0.0 112.377 175.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 87.0 mt -70.13 -41.43 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 O-C-N 120.876 -1.14 . . . . 0.0 111.016 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -66.5 -18.05 65.15 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.242 1.417 . . . . 0.0 114.154 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 32.0 ptt85 -107.03 -41.54 5.14 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.529 1.131 . . . . 0.0 114.003 177.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.3 t -91.68 -43.71 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 CA-C-N 118.257 0.481 . . . . 0.0 111.537 -173.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -109.49 17.25 21.6 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.915 1.286 . . . . 0.0 114.183 -172.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.3 tmmm? -81.73 153.9 26.3 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.769 1.628 . . . . 0.0 110.153 170.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt 58.04 49.34 11.76 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.054 1.342 . . . . 0.0 111.906 -168.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 14.0 tt -111.05 150.08 13.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 126.435 1.894 . . . . 0.0 110.59 174.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -71.61 124.77 25.45 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.535 0.734 . . . . 0.0 111.976 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -128.88 169.86 14.1 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 127.696 2.398 . . . . 0.0 110.382 179.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -131.78 151.86 51.37 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 169.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.5 t -72.93 132.86 44.01 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.971 1.708 . . . . 0.0 112.57 178.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.08 -3.99 53.78 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 177.723 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -105.13 -35.54 7.57 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.661 1.184 . . . . 0.0 113.155 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.9 p -132.93 1.64 3.6 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 -176.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt 57.11 16.34 2.88 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 126.288 1.835 . . . . 0.0 115.356 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -65.53 138.29 57.97 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.701 1.2 . . . . 0.0 110.522 170.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -89.46 143.7 26.62 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.119 0.967 . . . . 0.0 112.402 178.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -135.16 130.31 35.19 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.923 1.689 . . . . 0.0 111.279 -174.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.4 m -78.47 -7.01 56.98 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -174.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -143.97 145.41 32.22 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 125.329 1.452 . . . . 0.0 109.778 169.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.8 p -62.73 -40.76 89.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-O 118.728 -0.653 . . . . 0.0 110.589 174.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 42.6 mmtm -59.66 -37.06 77.71 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 119.839 1.2 . . . . 0.0 112.637 177.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -73.98 -29.48 62.0 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 176.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.5 tp -63.77 -41.05 98.05 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.676 -0.64 . . . . 0.0 111.597 169.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 16.3 mm -61.51 -44.5 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 O-C-N 121.717 -0.614 . . . . 0.0 110.271 174.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.28 -40.69 86.91 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.675 0.79 . . . . 0.0 111.933 178.001 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 52.2 t60 -62.27 -44.91 95.45 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.796 1.238 . . . . 0.0 112.985 170.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 49.1 mt -60.37 -42.79 92.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-N 119.094 0.861 . . . . 0.0 110.826 175.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 91.4 mtt-85 -67.21 -17.25 64.74 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 175.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -100.45 -41.17 7.11 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.521 1.128 . . . . 0.0 113.879 177.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.27 -27.07 10.75 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.197 1.399 . . . . 0.0 114.5 -171.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -126.64 23.76 6.72 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.032 1.333 . . . . 0.0 113.322 -172.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -69.98 149.77 96.34 Favored Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 125.157 1.383 . . . . 0.0 114.49 -168.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -79.09 97.16 1.11 Allowed 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 123.999 3.132 . . . . 0.0 111.163 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -85.48 58.39 5.01 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.423 1.489 . . . . 0.0 112.015 -175.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.1 t70 . . . . . 0 C--O 1.252 1.215 0 C-N-CA 126.574 1.95 . . . . 0.0 112.906 -178.826 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.572 0 N-CA-C 111.732 -0.547 . . . . 0.0 111.732 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.0 m -67.36 151.95 46.55 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.546 1.138 . . . . 0.0 113.102 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.9 p -73.9 157.3 36.53 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.689 1.196 . . . . 0.0 112.948 174.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.89 157.51 53.08 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.161 0.886 . . . . 0.0 113.82 178.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.5 m -79.04 52.72 1.31 Allowed 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.709 1.603 . . . . 0.0 113.241 -175.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 t -68.71 -34.06 75.0 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.46 1.104 . . . . 0.0 113.35 -174.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.87 -112.1 4.5 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.668 1.128 . . . . 0.0 113.272 176.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.1 mttp 56.77 63.12 5.64 Favored Pre-proline 0 N--CA 1.48 1.05 0 C-N-CA 126.963 2.105 . . . . 0.0 113.716 177.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -62.63 -29.06 77.43 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 124.642 3.561 . . . . 0.0 115.475 -178.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -86.97 103.3 15.2 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.286 0.634 . . . . 0.0 111.163 -177.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -98.53 149.82 22.33 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 125.21 1.404 . . . . 0.0 111.992 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.8 t -76.38 136.23 68.58 Favored Pre-proline 0 CA--C 1.548 0.877 0 C-N-CA 124.273 1.029 . . . . 0.0 110.339 169.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -78.21 -11.05 16.29 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 123.982 3.121 . . . . 0.0 112.333 173.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -110.24 -27.05 9.29 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 -173.18 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.2 p -143.25 -176.07 4.78 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 177.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.6 p -73.91 -0.13 15.15 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.218 1.407 . . . . 0.0 114.619 -178.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -60.79 144.75 51.88 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.934 1.294 . . . . 0.0 113.82 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.47 155.73 40.86 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.559 1.144 . . . . 0.0 112.192 169.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.3 t -142.25 160.72 39.69 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.445 1.498 . . . . 0.0 112.441 178.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.83 -5.36 59.25 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.921 1.289 . . . . 0.0 113.69 170.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 61.2 mt -130.54 128.57 63.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 124.981 1.312 . . . . 0.0 110.219 -172.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -59.99 -39.15 84.74 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.923 0.889 . . . . 0.0 112.919 179.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.54 -33.83 74.5 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 174.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -76.27 -20.79 57.03 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.521 -0.737 . . . . 0.0 112.365 175.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.0 tp -78.39 -44.73 24.16 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.179 0.899 . . . . 0.0 110.748 166.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -53.76 -47.63 70.52 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.193 0.906 . . . . 0.0 111.777 176.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.8 -33.65 64.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 123.761 0.824 . . . . 0.0 112.339 -177.433 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -68.69 -39.08 80.69 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.63 1.172 . . . . 0.0 112.417 178.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 65.8 mt -64.84 -23.68 67.31 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.973 0.909 . . . . 0.0 112.679 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -57.75 -34.95 70.09 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.027 0.931 . . . . 0.0 112.385 174.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.7 mttt -67.96 -29.38 68.41 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.348 1.459 . . . . 0.0 112.449 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -82.33 0.44 41.71 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.469 1.507 . . . . 0.0 114.896 177.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 67.4 p -75.09 160.54 30.35 Favored 'General case' 0 N--CA 1.481 1.1 0 O-C-N 120.931 -1.106 . . . . 0.0 113.773 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.86 143.35 7.74 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 124.827 1.203 . . . . 0.0 112.618 -173.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -138.67 148.07 43.58 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.623 1.169 . . . . 0.0 113.347 -170.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -89.93 108.65 19.84 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.058 0.943 . . . . 0.0 109.72 168.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -85.68 107.0 17.36 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 125.833 1.653 . . . . 0.0 109.383 177.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.29 144.84 24.99 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.731 1.212 . . . . 0.0 112.718 -176.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.3 t -67.83 139.9 56.57 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 122.182 0.992 . . . . 0.0 111.582 171.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -83.22 -4.98 58.96 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.774 0.83 . . . . 0.0 111.776 173.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -119.61 -26.21 5.79 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.994 1.318 . . . . 0.0 113.434 -170.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.1 p -141.39 -175.69 4.45 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.492 1.117 . . . . 0.0 113.159 169.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.2 m -74.2 3.91 6.46 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.365 1.466 . . . . 0.0 114.081 176.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -61.2 147.2 45.04 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.233 1.013 . . . . 0.0 113.339 -178.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.3 p -144.0 149.46 36.75 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.386 1.474 . . . . 0.0 112.23 173.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.8 t -145.49 154.32 42.09 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.228 1.011 . . . . 0.0 112.025 174.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -83.83 -3.66 58.05 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.464 1.105 . . . . 0.0 113.132 176.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.5 m -124.31 127.43 47.61 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.419 1.488 . . . . 0.0 111.526 178.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -69.48 -33.98 73.68 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.334 1.053 . . . . 0.0 113.053 -174.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.15 -35.4 91.66 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 123.923 0.773 . . . . 0.0 113.049 173.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 63.5 m170 -72.26 -32.2 66.46 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.363 -1.08 . . . . 0.0 112.129 175.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.7 tp -62.42 -43.4 98.91 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.077 0.853 . . . . 0.0 111.271 169.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -57.71 -50.11 74.28 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.771 -0.581 . . . . 0.0 111.025 173.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 83.5 t -60.04 -40.25 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 CA-C-N 118.767 0.712 . . . . 0.0 111.93 177.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -56.97 -47.35 80.96 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.346 0.659 . . . . 0.0 111.676 175.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 84.2 mt -70.33 -40.31 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 120.836 -1.165 . . . . 0.0 111.304 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -68.62 -12.68 61.66 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.183 1.393 . . . . 0.0 114.318 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -113.87 -41.54 3.55 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 176.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.7 t -89.46 -47.49 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 123.016 0.527 . . . . 0.0 111.074 -174.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -104.21 21.46 16.49 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.431 1.492 . . . . 0.0 113.629 -176.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.2 tptt -66.81 151.85 46.7 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.338 1.455 . . . . 0.0 111.607 178.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? 60.56 66.36 0.94 Allowed 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 126.192 1.797 . . . . 0.0 112.22 -176.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 8.8 tt -143.45 172.2 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 126.696 1.999 . . . . 0.0 111.986 -169.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.22 134.94 55.74 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.26 1.424 . . . . 0.0 110.92 168.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -136.56 179.21 6.5 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.036 1.334 . . . . 0.0 113.824 -168.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 43.2 p-80 -131.68 147.4 52.51 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.888 1.275 . . . . 0.0 111.673 167.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 53.9 t -68.11 130.92 44.38 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.194 1.398 . . . . 0.0 112.064 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.64 -2.35 38.67 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 176.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -112.18 -36.14 5.42 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.643 1.177 . . . . 0.0 113.194 177.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.274 15.5 p -131.41 9.32 4.71 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 116.389 1.996 . . . . 0.0 116.389 -175.579 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 91.4 mttt 56.8 6.76 0.33 Allowed 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 127.888 2.475 . . . . 0.0 116.546 174.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.4 mttp -61.25 134.05 56.57 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 127.471 2.308 . . . . 0.0 111.238 172.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -82.82 140.68 32.81 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.56 0.744 . . . . 0.0 111.827 176.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -126.71 131.12 51.44 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.179 1.392 . . . . 0.0 111.363 -177.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.8 m -69.67 -13.41 62.29 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.959 1.304 . . . . 0.0 114.121 -173.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -148.99 141.84 24.65 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 125.358 1.463 . . . . 0.0 109.635 169.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.8 p -54.64 -38.44 42.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-O 118.694 -0.67 . . . . 0.0 111.547 171.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -60.58 -37.52 81.59 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.853 1.206 . . . . 0.0 112.174 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -76.45 -27.63 56.25 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 122.846 0.458 . . . . 0.0 112.196 175.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.5 tp -64.0 -41.06 97.61 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.605 -0.684 . . . . 0.0 111.522 169.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 19.3 mm -60.38 -44.92 97.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 CA-C-N 118.537 0.608 . . . . 0.0 110.112 175.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -42.04 87.57 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.819 0.847 . . . . 0.0 112.029 177.432 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -62.3 -44.21 97.03 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.813 1.245 . . . . 0.0 113.034 171.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 57.8 mt -63.4 -42.28 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 O-C-N 121.288 -0.882 . . . . 0.0 110.83 176.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -62.33 -23.07 66.55 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 173.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -97.22 -44.45 6.92 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.466 1.106 . . . . 0.0 113.869 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -105.72 -24.85 12.43 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.236 1.414 . . . . 0.0 114.235 -170.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 61.1 m-70 -127.54 30.09 5.4 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.344 1.458 . . . . 0.0 112.424 -175.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -54.79 139.9 60.57 Favored Pre-proline 0 CA--C 1.553 1.075 0 C-N-CA 125.81 1.644 . . . . 0.0 114.778 -169.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -78.3 156.33 29.23 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 123.795 2.997 . . . . 0.0 113.128 -175.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.01 3.43 53.44 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 125.22 1.408 . . . . 0.0 114.503 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--O 1.251 1.176 0 C-N-CA 126.408 1.883 . . . . 0.0 112.705 178.96 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.668 0 N-CA-C 111.471 -0.652 . . . . 0.0 111.471 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -62.16 -22.0 65.52 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 114.652 1.353 . . . . 0.0 114.652 -172.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.6 p -63.34 -21.46 66.28 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.984 1.313 . . . . 0.0 113.858 173.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.97 -3.17 90.68 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 124.922 1.249 . . . . 0.0 114.868 171.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.7 m 62.36 155.32 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 127.627 2.371 . . . . 0.0 114.923 -169.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 t -79.39 129.96 34.97 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.514 -0.741 . . . . 0.0 109.983 169.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.69 -133.95 51.41 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 123.217 0.437 . . . . 0.0 112.096 -170.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 51.05 61.36 13.29 Favored Pre-proline 0 N--CA 1.478 0.965 0 C-N-CA 126.036 1.735 . . . . 0.0 113.326 174.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -61.66 -29.48 83.95 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 124.543 3.496 . . . . 0.0 115.328 -175.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -86.09 102.41 13.82 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.296 0.638 . . . . 0.0 111.064 -177.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -98.06 149.81 22.09 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.522 1.529 . . . . 0.0 111.867 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.7 t -76.73 135.94 67.61 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 124.365 1.066 . . . . 0.0 110.323 170.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -77.88 -9.83 16.86 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 123.801 3.001 . . . . 0.0 112.45 174.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -114.43 -24.71 8.72 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -172.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.5 p -142.37 -175.53 4.48 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 174.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.4 p -74.49 0.14 15.7 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.399 1.479 . . . . 0.0 114.64 -178.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -59.95 145.14 47.13 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.974 1.309 . . . . 0.0 114.042 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.78 155.01 39.39 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.665 1.186 . . . . 0.0 112.139 169.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.6 t -147.41 167.21 24.94 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.837 1.255 . . . . 0.0 112.725 174.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.61 -2.49 58.65 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.246 1.419 . . . . 0.0 114.396 176.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 63.9 mt -132.24 133.84 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 125.233 1.413 . . . . 0.0 110.31 -171.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -63.1 -39.36 94.47 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.156 0.982 . . . . 0.0 112.881 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.09 -33.85 75.2 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.025 0.93 . . . . 0.0 113.127 175.045 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -68.52 -38.49 80.94 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.469 -0.769 . . . . 0.0 111.396 174.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.1 tp -64.99 -45.25 86.4 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.247 -0.908 . . . . 0.0 111.495 171.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -54.41 -47.25 72.99 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.248 0.931 . . . . 0.0 111.765 175.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.1 -35.18 67.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-O 121.102 0.477 . . . . 0.0 112.225 -176.114 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -65.91 -41.52 91.33 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.073 0.949 . . . . 0.0 112.582 177.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.7 mt -60.47 -21.91 62.91 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.339 1.056 . . . . 0.0 113.263 -178.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -55.57 -32.43 63.02 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.864 1.266 . . . . 0.0 113.235 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -74.25 -20.92 59.99 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -89.37 24.93 2.07 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 126.17 1.788 . . . . 0.0 113.342 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.1 p -103.5 165.2 11.18 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.366 1.467 . . . . 0.0 112.575 177.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.42 -159.19 14.15 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 124.8 1.19 . . . . 0.0 113.354 -178.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -69.61 136.93 51.84 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.824 -0.81 . . . . 0.0 112.813 -177.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt -109.29 104.73 13.91 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 125.731 1.612 . . . . 0.0 111.309 -174.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -91.32 115.92 28.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.438 -1.255 . . . . 0.0 109.608 174.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.5 146.19 24.78 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.264 1.025 . . . . 0.0 112.852 177.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.2 t -67.45 143.04 56.45 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 122.188 0.994 . . . . 0.0 111.727 171.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -82.45 -5.53 58.74 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.916 0.886 . . . . 0.0 112.053 175.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -121.62 -26.67 4.87 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.719 1.208 . . . . 0.0 113.674 -170.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.3 p -139.3 -176.61 4.59 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.427 1.091 . . . . 0.0 113.156 171.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.5 p -76.26 5.38 7.07 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.636 1.574 . . . . 0.0 114.363 176.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -60.22 146.35 43.94 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 123.945 0.898 . . . . 0.0 112.691 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 79.6 p -138.3 152.56 48.63 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 125.006 1.322 . . . . 0.0 112.064 170.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 10.8 t -141.3 153.37 45.14 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.033 0.933 . . . . 0.0 112.581 -174.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -90.45 0.8 57.16 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.118 1.367 . . . . 0.0 113.08 172.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.9 t -136.67 124.29 22.32 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.658 1.583 . . . . 0.0 111.186 174.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.3 pttt -62.27 -32.34 73.04 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.541 1.136 . . . . 0.0 112.501 172.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.85 -30.91 65.24 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 123.884 0.754 . . . . 0.0 113.361 176.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -78.09 -33.28 50.8 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.447 1.124 . . . . 0.0 112.147 169.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 66.4 tp -60.46 -38.83 85.45 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 121.461 -0.775 . . . . 0.0 111.894 172.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -55.47 -50.73 69.11 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 121.735 -0.603 . . . . 0.0 111.16 169.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.8 t -61.54 -39.12 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 122.864 0.465 . . . . 0.0 111.729 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -57.42 -45.99 84.02 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.388 0.675 . . . . 0.0 111.808 174.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.1 mt -70.34 -40.87 78.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 O-C-N 121.018 -1.051 . . . . 0.0 110.983 177.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -69.03 -13.59 62.54 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.345 1.458 . . . . 0.0 114.166 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -110.12 -41.74 4.36 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 175.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.5 t -90.25 -46.29 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 CA-C-N 118.301 0.501 . . . . 0.0 111.285 -173.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -105.21 19.05 21.27 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.104 1.362 . . . . 0.0 114.275 -173.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.13 129.82 38.58 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.605 1.562 . . . . 0.0 110.943 179.114 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.6 tptt 50.57 47.19 24.61 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 126.591 1.956 . . . . 0.0 113.593 -172.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 13.2 tt -67.02 160.07 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 125.219 1.408 . . . . 0.0 111.216 169.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -80.6 162.65 24.15 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.519 1.528 . . . . 0.0 112.214 170.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -129.55 171.15 12.88 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 126.411 1.884 . . . . 0.0 112.426 -174.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 42.7 p-80 -134.93 145.74 48.48 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.144 0.977 . . . . 0.0 111.708 167.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 41.4 t -75.29 128.24 34.97 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.432 1.493 . . . . 0.0 110.158 170.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -12.59 59.96 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 178.558 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -92.1 -33.86 14.59 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -176.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 29.3 p -130.57 2.27 4.53 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 115.25 1.574 . . . . 0.0 115.25 -178.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp 59.28 17.62 5.93 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 126.494 1.918 . . . . 0.0 114.854 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -69.59 134.63 49.01 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.076 1.35 . . . . 0.0 110.437 172.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -87.56 143.74 27.05 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.607 0.763 . . . . 0.0 111.9 176.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -127.52 137.22 52.57 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.29 1.436 . . . . 0.0 111.596 -175.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 36.4 m -88.57 -8.71 54.28 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.46 1.104 . . . . 0.0 113.64 -178.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -143.3 135.44 26.97 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 125.286 1.434 . . . . 0.0 109.802 173.325 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 10.0 p -59.85 -36.67 67.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-O 119.006 -0.521 . . . . 0.0 111.116 172.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -63.07 -34.52 77.76 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.454 1.024 . . . . 0.0 112.442 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -74.83 -32.01 61.84 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 122.965 0.506 . . . . 0.0 112.136 175.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.2 tp -62.34 -39.7 93.94 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.405 0.682 . . . . 0.0 112.004 172.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 16.9 mm -60.81 -51.05 77.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 118.458 0.572 . . . . 0.0 110.225 177.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.2 tttm -58.06 -43.04 86.69 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 176.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -56.48 -45.46 80.93 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.415 0.686 . . . . 0.0 112.137 174.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 66.9 mt -65.84 -45.36 91.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 O-C-N 121.493 -0.754 . . . . 0.0 110.936 176.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -64.46 -26.07 68.28 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 178.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -97.82 -37.73 9.73 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.482 1.113 . . . . 0.0 113.96 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.35 -23.16 12.32 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -173.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -126.25 25.4 6.65 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.583 1.553 . . . . 0.0 112.765 -175.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -51.47 138.29 29.83 Favored Pre-proline 0 CA--C 1.553 1.092 0 C-N-CA 126.227 1.811 . . . . 0.0 115.139 -173.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -55.5 161.69 7.21 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 124.87 3.713 . . . . 0.0 115.58 173.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 48.2 mm-40 59.71 31.97 21.17 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 126.026 1.731 . . . . 0.0 114.789 176.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.0 t70 . . . . . 0 C--O 1.254 1.315 0 C-N-CA 125.324 1.449 . . . . 0.0 113.411 172.486 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.627 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m -62.11 -21.82 65.31 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -171.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 m -73.47 -13.21 61.02 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.747 1.219 . . . . 0.0 114.044 176.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.47 -162.01 52.23 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 124.553 1.073 . . . . 0.0 113.939 -177.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.6 t -148.92 157.09 43.17 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.269 1.428 . . . . 0.0 111.429 177.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.6 m -68.16 134.63 50.83 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.463 1.105 . . . . 0.0 112.922 -176.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.8 172.1 55.21 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 124.284 0.945 . . . . 0.0 113.567 172.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -112.31 73.83 1.41 Allowed Pre-proline 0 CA--C 1.544 0.73 0 C-N-CA 127.791 2.437 . . . . 0.0 112.193 -178.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.491 ' HD2' ' HA ' ' A' ' 20' ' ' ALA . 53.0 Cg_endo -71.78 -27.88 17.51 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 124.268 3.312 . . . . 0.0 115.27 -177.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -82.65 98.38 9.0 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.407 0.549 . . . . 0.0 110.886 -175.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -92.05 148.64 22.03 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 126.076 1.75 . . . . 0.0 112.249 -178.094 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.1 t -76.73 133.45 70.17 Favored Pre-proline 0 CA--C 1.548 0.867 0 C-N-CA 124.365 1.066 . . . . 0.0 109.863 169.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -77.74 -6.65 16.22 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 123.982 3.122 . . . . 0.0 112.217 172.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -113.75 -28.24 7.51 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.815 1.246 . . . . 0.0 113.246 -170.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.3 p -143.3 -173.31 3.9 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.054 0.941 . . . . 0.0 113.001 174.207 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.0 p -75.4 0.22 17.7 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.317 1.447 . . . . 0.0 114.787 -177.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -61.17 146.09 48.81 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.157 1.383 . . . . 0.0 114.227 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.91 153.09 36.09 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.11 1.364 . . . . 0.0 111.872 169.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.8 t -146.15 153.09 40.27 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 174.049 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.491 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -62.45 -14.45 41.14 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.981 1.712 . . . . 0.0 115.252 168.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.9 mt -126.07 133.43 68.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.234 1.014 . . . . 0.0 111.381 -169.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -61.01 -43.36 99.0 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.108 1.363 . . . . 0.0 112.68 176.322 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.4 -35.28 73.66 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.66 0.784 . . . . 0.0 113.092 175.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -68.2 -39.33 82.46 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.637 -0.664 . . . . 0.0 111.635 174.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.3 tp -63.93 -45.74 87.91 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.15 -0.969 . . . . 0.0 111.478 171.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -56.0 -45.27 79.1 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 118.896 0.771 . . . . 0.0 111.748 177.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.22 -36.38 67.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 123.162 0.585 . . . . 0.0 112.178 -177.055 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -64.01 -41.69 97.39 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.534 1.134 . . . . 0.0 112.88 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.7 mt -59.72 -23.99 63.62 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.893 0.877 . . . . 0.0 112.969 -178.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -58.8 -29.49 66.89 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.582 1.153 . . . . 0.0 113.138 -178.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -73.56 -22.8 59.96 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 63.0 m-70 -85.48 3.71 39.06 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.548 1.539 . . . . 0.0 113.91 -177.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.5 t -144.85 175.52 10.14 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.69 1.596 . . . . 0.0 111.799 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.96 -155.39 53.05 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 125.823 1.677 . . . . 0.0 114.539 170.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -130.62 129.36 42.61 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.006 1.322 . . . . 0.0 111.137 171.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -83.03 112.42 19.76 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.453 0.644 . . . . 0.0 111.645 174.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -101.68 121.32 41.81 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.223 1.409 . . . . 0.0 108.904 169.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.62 146.78 23.77 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.671 1.189 . . . . 0.0 113.208 177.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.6 t -66.89 142.97 57.12 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 122.117 0.96 . . . . 0.0 111.763 171.356 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -83.11 -5.71 59.21 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.768 0.827 . . . . 0.0 111.937 175.054 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -120.42 -26.95 5.29 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.547 1.139 . . . . 0.0 113.498 -171.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.1 p -138.94 -178.07 5.16 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.171 0.989 . . . . 0.0 113.12 171.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.6 p -75.43 5.42 5.83 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.495 1.518 . . . . 0.0 114.293 177.053 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -62.07 148.25 44.79 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 124.916 1.286 . . . . 0.0 112.966 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.9 p -138.85 151.47 47.03 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 125.088 1.355 . . . . 0.0 111.89 170.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.9 t -142.41 152.75 43.11 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.201 1.001 . . . . 0.0 112.012 178.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -85.02 2.46 43.1 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.952 1.301 . . . . 0.0 113.326 177.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.9 t -136.32 130.49 32.99 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.642 1.577 . . . . 0.0 111.368 172.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.2 pttt -64.9 -31.69 73.04 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 125.01 1.324 . . . . 0.0 112.667 173.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.4 -38.11 62.48 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 123.541 0.591 . . . . 0.0 112.653 176.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 63.6 m170 -71.65 -33.12 68.64 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.312 -1.11 . . . . 0.0 112.12 171.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.0 tp -63.61 -40.54 97.16 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.343 -0.848 . . . . 0.0 112.299 170.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -57.08 -47.73 80.3 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 121.588 -0.695 . . . . 0.0 110.697 171.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 75.5 t -61.0 -40.75 86.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 CA-C-N 118.577 0.626 . . . . 0.0 111.859 177.042 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -56.87 -46.12 82.04 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.512 0.725 . . . . 0.0 112.002 174.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 94.4 mt -71.08 -41.59 76.27 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 O-C-N 120.782 -1.199 . . . . 0.0 111.238 178.315 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -64.53 -20.4 66.2 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.339 1.455 . . . . 0.0 113.912 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.8 ptt180 -106.83 -40.69 5.42 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 179.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.4 t -91.47 -44.81 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-N 118.268 0.485 . . . . 0.0 111.432 -174.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -111.67 18.86 18.62 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 -170.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.4 tmmm? -87.98 136.01 33.15 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.635 1.574 . . . . 0.0 110.604 177.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt 51.45 46.28 26.74 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.798 1.639 . . . . 0.0 112.701 -169.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 13.8 tt -86.92 149.27 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.685 1.594 . . . . 0.0 111.624 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -72.03 149.12 45.19 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.593 0.757 . . . . 0.0 111.071 170.019 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -118.95 166.54 12.73 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.524 1.53 . . . . 0.0 111.55 -175.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 25.4 p-80 -131.48 148.75 52.67 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.81 0.844 . . . . 0.0 112.568 171.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 53.7 t -69.28 135.82 51.02 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.975 1.31 . . . . 0.0 113.204 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -23.92 66.1 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.73 1.612 . . . . 0.0 113.176 176.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -108.89 -32.53 7.25 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 -168.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.1 p -130.9 2.59 4.39 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 115.397 1.629 . . . . 0.0 115.397 -178.034 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp 57.61 13.81 2.09 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 126.503 1.921 . . . . 0.0 115.38 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 41.6 tttp -61.03 135.35 57.76 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.266 1.426 . . . . 0.0 110.385 172.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -89.64 142.68 27.46 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.809 0.844 . . . . 0.0 112.448 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -133.19 129.63 38.04 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.036 1.734 . . . . 0.0 111.753 -172.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 26.7 m -78.86 -12.42 60.03 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 114.109 1.152 . . . . 0.0 114.109 -176.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -138.38 136.11 36.0 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.463 1.505 . . . . 0.0 109.588 171.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.3 p -59.58 -36.73 66.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 118.92 -0.562 . . . . 0.0 111.482 173.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -62.81 -36.37 82.96 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.652 1.115 . . . . 0.0 111.991 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -72.73 -31.35 64.89 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 175.132 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.9 tp -63.05 -40.44 97.7 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 118.31 0.505 . . . . 0.0 112.008 171.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 16.6 mm -61.08 -46.56 96.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 CA-C-N 118.498 0.59 . . . . 0.0 110.206 176.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -59.67 -41.2 90.13 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.425 0.69 . . . . 0.0 111.983 177.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 63.9 t60 -60.19 -44.8 94.8 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.903 0.881 . . . . 0.0 112.822 171.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 63.5 mt -64.08 -43.36 97.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 O-C-N 121.228 -0.92 . . . . 0.0 110.914 176.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -64.29 -23.38 67.28 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 175.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -97.0 -42.67 7.79 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.524 1.13 . . . . 0.0 113.482 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -104.43 -24.86 13.0 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.704 1.202 . . . . 0.0 114.19 -171.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -129.24 26.89 5.4 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.12 1.368 . . . . 0.0 113.257 -172.15 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -52.85 136.94 45.73 Favored Pre-proline 0 CA--C 1.554 1.097 0 C-N-CA 125.68 1.592 . . . . 0.0 114.524 -172.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -53.72 143.19 59.32 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 124.609 3.539 . . . . 0.0 114.539 175.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -87.79 -8.73 55.56 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.451 1.1 . . . . 0.0 113.863 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 . . . . . 0 C--O 1.254 1.315 0 C-N-CA 126.672 1.989 . . . . 0.0 113.191 -179.223 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.545 0 N-CA-C 112.028 -0.429 . . . . 0.0 112.028 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 m -68.6 151.52 46.62 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.571 1.148 . . . . 0.0 113.258 -178.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.5 m -67.83 152.81 44.97 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.588 1.155 . . . . 0.0 112.883 177.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.76 156.16 53.41 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 123.979 0.799 . . . . 0.0 113.679 175.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 t -79.92 148.18 31.36 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.014 0.925 . . . . 0.0 112.726 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.2 m -85.9 150.82 24.25 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.981 1.313 . . . . 0.0 112.978 -177.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.8 -151.0 51.82 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 124.091 0.853 . . . . 0.0 113.974 177.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -113.24 71.33 1.48 Allowed Pre-proline 0 CA--C 1.547 0.853 0 C-N-CA 128.122 2.569 . . . . 0.0 112.259 -176.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.502 ' HD2' ' HA ' ' A' ' 20' ' ' ALA . 38.0 Cg_endo -67.27 -30.88 36.64 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 124.215 3.277 . . . . 0.0 115.244 -177.248 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -81.51 106.58 13.57 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.116 0.566 . . . . 0.0 110.687 -175.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -99.17 149.41 23.1 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.267 1.427 . . . . 0.0 112.294 -175.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.2 t -76.26 133.06 72.12 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 123.688 0.795 . . . . 0.0 109.99 170.062 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -77.49 -6.98 16.68 Favored 'Trans proline' 0 CA--C 1.542 0.918 0 C-N-CA 123.83 3.02 . . . . 0.0 112.226 172.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -113.49 -28.67 7.45 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.861 1.265 . . . . 0.0 113.128 -170.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.4 p -143.54 -172.94 3.82 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.988 0.915 . . . . 0.0 113.14 175.008 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.9 p -76.0 0.74 17.5 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.367 1.467 . . . . 0.0 114.681 -177.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -61.16 147.03 45.47 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.169 1.388 . . . . 0.0 114.126 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.24 152.9 37.97 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.291 1.436 . . . . 0.0 111.739 172.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.6 t -147.61 152.72 38.37 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 171.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.502 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -62.11 -14.09 33.3 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 115.833 1.79 . . . . 0.0 115.833 168.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 49.4 mt -127.29 135.06 64.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 124.456 1.102 . . . . 0.0 111.195 -169.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -61.69 -42.57 99.11 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.349 1.06 . . . . 0.0 112.675 176.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.62 -35.99 75.45 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.821 0.848 . . . . 0.0 112.785 175.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -70.5 -26.55 63.65 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.646 -0.658 . . . . 0.0 112.477 175.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.7 tp -74.93 -45.62 41.27 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.342 0.974 . . . . 0.0 111.043 168.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -54.83 -45.36 74.45 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 118.869 0.759 . . . . 0.0 111.732 177.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.44 -35.32 66.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 123.611 0.764 . . . . 0.0 112.375 -176.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -65.61 -41.29 92.89 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.583 1.153 . . . . 0.0 112.668 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.8 mt -59.81 -24.8 64.44 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.807 0.843 . . . . 0.0 112.601 -178.218 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -56.82 -30.72 64.02 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.888 1.275 . . . . 0.0 112.817 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.56 -24.11 58.88 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -80.54 -6.47 58.27 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.71 1.204 . . . . 0.0 113.09 175.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 36.8 p -117.53 -47.1 2.65 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 125.309 1.443 . . . . 0.0 111.78 178.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 175.65 109.44 0.24 Allowed Glycine 0 CA--C 1.532 1.113 0 C-N-CA 125.302 1.429 . . . . 0.0 111.637 169.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -65.68 137.25 57.18 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -173.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -90.01 109.32 20.37 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.757 0.823 . . . . 0.0 111.155 177.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -87.71 106.01 17.76 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 126.631 1.972 . . . . 0.0 108.814 174.151 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -97.5 144.27 27.38 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.594 1.157 . . . . 0.0 113.071 -174.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.8 t -68.93 140.3 55.1 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 122.223 1.011 . . . . 0.0 111.738 172.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -83.62 -5.3 59.14 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.867 0.867 . . . . 0.0 111.805 173.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -119.86 -26.72 5.56 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.986 1.314 . . . . 0.0 113.475 -170.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 29.2 p -139.88 -176.55 4.62 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.097 0.959 . . . . 0.0 113.214 170.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.1 m -73.42 3.65 5.73 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.281 1.432 . . . . 0.0 113.968 176.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -60.79 145.08 51.08 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.279 1.032 . . . . 0.0 113.212 -179.083 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 34.2 p -143.7 150.52 38.8 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 125.602 1.561 . . . . 0.0 112.033 172.054 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.7 t -145.36 164.57 31.06 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.807 1.243 . . . . 0.0 111.584 175.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.4 mp -91.77 12.03 22.7 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.193 1.397 . . . . 0.0 113.322 170.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.9 t -132.26 125.73 31.74 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.179 1.391 . . . . 0.0 112.599 172.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.2 pttt -61.36 -34.11 74.75 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.37 1.468 . . . . 0.0 112.039 169.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.44 -42.6 81.28 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 123.951 0.786 . . . . 0.0 112.489 176.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -70.23 -34.28 72.69 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.579 -0.953 . . . . 0.0 112.157 174.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 61.4 tp -58.9 -43.09 90.95 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 118.954 0.797 . . . . 0.0 111.866 170.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -59.83 -48.79 80.26 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.692 -0.63 . . . . 0.0 110.979 175.103 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 89.4 t -61.91 -39.37 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 122.891 0.477 . . . . 0.0 111.692 178.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -58.17 -45.02 88.24 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.819 0.848 . . . . 0.0 112.031 175.302 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 88.3 mt -70.56 -40.73 77.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 O-C-N 120.976 -1.078 . . . . 0.0 111.05 177.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -67.12 -18.51 65.33 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.926 1.29 . . . . 0.0 113.987 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -105.2 -42.04 5.39 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.547 1.139 . . . . 0.0 113.905 178.187 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 23.7 t -92.36 -44.29 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 CA-C-N 118.188 0.449 . . . . 0.0 111.647 -173.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -110.02 22.09 16.02 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.135 1.374 . . . . 0.0 113.671 -172.05 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.5 tmmm? -86.41 149.27 25.12 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.803 1.641 . . . . 0.0 110.317 172.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 75.0 tttt 55.38 48.18 19.65 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.894 1.678 . . . . 0.0 112.368 -168.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 13.3 tt -105.9 150.01 8.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 126.09 1.756 . . . . 0.0 111.738 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -68.27 133.6 49.06 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.626 0.77 . . . . 0.0 111.874 177.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -141.55 169.21 18.04 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 127.896 2.478 . . . . 0.0 109.533 178.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 30.2 p-80 -140.06 153.69 46.85 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 170.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.0 t -75.5 129.98 38.15 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.101 1.76 . . . . 0.0 112.24 178.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.0 -10.97 59.72 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 177.232 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -98.23 -34.49 10.7 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -178.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 23.7 p -131.19 3.34 4.32 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 -177.163 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt 58.61 14.19 2.97 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 126.587 1.955 . . . . 0.0 115.062 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -67.31 137.67 56.23 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.865 1.266 . . . . 0.0 110.795 174.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -86.39 144.79 27.15 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.07 0.948 . . . . 0.0 112.406 176.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -132.81 143.78 49.78 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.807 2.043 . . . . 0.0 110.978 -175.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 48.8 m -95.76 1.57 53.39 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -175.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -152.06 145.2 24.6 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 125.302 1.441 . . . . 0.0 109.775 168.202 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.6 p -63.68 -39.14 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 CA-C-O 118.773 -0.632 . . . . 0.0 111.995 176.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -65.92 -34.02 77.17 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 120.01 1.277 . . . . 0.0 111.548 179.037 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -70.44 -33.06 70.87 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 173.37 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.34 -40.74 97.36 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.777 -0.577 . . . . 0.0 111.906 170.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 15.7 mm -62.32 -45.05 99.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 O-C-N 121.581 -0.699 . . . . 0.0 110.61 175.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -59.45 -40.88 88.29 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.241 0.616 . . . . 0.0 111.778 177.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -60.07 -46.61 88.98 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.859 0.864 . . . . 0.0 112.874 170.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 57.9 mt -61.75 -43.84 97.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-N 118.923 0.783 . . . . 0.0 110.768 177.1 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -63.09 -23.27 67.36 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 176.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -97.08 -43.88 7.22 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.456 1.102 . . . . 0.0 113.557 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -103.27 -25.93 13.15 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.018 1.327 . . . . 0.0 114.226 -171.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -129.53 33.34 4.5 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.844 1.658 . . . . 0.0 111.746 -175.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -49.6 138.38 16.61 Favored Pre-proline 0 CA--C 1.549 0.934 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 -167.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -82.02 166.57 16.67 Favored 'Trans proline' 0 CA--C 1.541 0.831 0 C-N-CA 124.345 3.363 . . . . 0.0 112.178 171.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -123.74 130.78 53.16 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.11 1.364 . . . . 0.0 109.943 174.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 32.6 t70 . . . . . 0 C--O 1.253 1.288 0 C-N-CA 126.569 1.948 . . . . 0.0 112.693 -177.764 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.578 0 N-CA-C 111.87 -0.492 . . . . 0.0 111.87 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 m -67.27 146.3 54.28 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.453 1.101 . . . . 0.0 112.941 -178.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.0 p -87.79 -18.38 29.49 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 -177.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.22 147.59 36.31 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 124.431 1.015 . . . . 0.0 113.858 178.373 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.7 m -143.94 151.58 39.97 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.549 1.539 . . . . 0.0 111.884 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t 59.79 175.46 0.08 Allowed 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.433 1.893 . . . . 0.0 115.123 -177.01 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.49 6.72 2.2 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 126.179 1.847 . . . . 0.0 114.942 178.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.9 mtmt 49.01 63.37 10.54 Favored Pre-proline 0 N--CA 1.48 1.049 0 C-N-CA 126.041 1.736 . . . . 0.0 112.665 -178.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -60.92 -28.4 86.28 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 124.929 3.753 . . . . 0.0 115.478 -173.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -87.29 103.33 15.36 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.321 0.648 . . . . 0.0 111.068 -178.122 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -100.11 149.81 23.13 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.569 1.548 . . . . 0.0 112.002 -178.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.1 t -75.71 136.91 70.41 Favored Pre-proline 0 CA--C 1.547 0.841 0 C-N-CA 124.294 1.038 . . . . 0.0 110.621 170.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -77.89 -10.61 16.78 Favored 'Trans proline' 0 CA--C 1.541 0.843 0 C-N-CA 123.842 3.028 . . . . 0.0 112.465 174.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -112.22 -26.65 8.69 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -173.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.7 p -142.05 -176.26 4.73 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 176.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.9 p -73.9 0.45 13.35 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.339 1.455 . . . . 0.0 114.532 -178.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -60.2 144.83 49.15 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.795 1.238 . . . . 0.0 113.81 178.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.43 156.13 40.89 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.711 1.204 . . . . 0.0 112.091 169.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.4 t -146.67 164.74 31.72 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.816 1.246 . . . . 0.0 112.667 173.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.21 -3.86 57.83 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.212 1.405 . . . . 0.0 114.442 173.16 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 61.4 mt -130.96 134.12 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.131 1.373 . . . . 0.0 109.97 -171.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -66.35 -37.95 86.49 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.405 -0.81 . . . . 0.0 112.914 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.47 -35.75 70.58 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.444 0.698 . . . . 0.0 112.701 175.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -68.56 -38.89 81.13 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.63 0.772 . . . . 0.0 111.872 173.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.8 tp -65.2 -45.61 84.1 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.054 -1.029 . . . . 0.0 111.826 171.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -55.05 -45.43 75.29 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.96 0.8 . . . . 0.0 111.34 176.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.5 -36.99 68.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 123.219 0.608 . . . . 0.0 112.396 -177.089 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -62.67 -41.21 98.95 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.224 1.01 . . . . 0.0 112.789 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 65.4 mt -58.22 -26.69 63.14 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.938 0.895 . . . . 0.0 112.805 -177.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.9 mtp85 -57.61 -25.86 60.7 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.186 1.395 . . . . 0.0 113.635 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt -77.84 -19.46 54.84 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 176.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -89.04 -23.35 22.59 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.776 1.23 . . . . 0.0 112.928 174.128 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 33.3 p -81.56 -34.89 30.83 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 118.986 0.812 . . . . 0.0 112.575 176.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.17 162.78 52.89 Favored Glycine 0 CA--C 1.54 1.639 0 C-N-CA 125.248 1.404 . . . . 0.0 113.896 176.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -74.12 122.99 23.59 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.598 -0.942 . . . . 0.0 112.744 -174.016 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -101.97 107.12 18.17 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 125.513 1.525 . . . . 0.0 111.789 -174.29 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -91.62 117.65 29.92 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.782 1.233 . . . . 0.0 109.762 172.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.93 147.56 22.87 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.693 1.197 . . . . 0.0 113.809 179.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.8 t -67.94 143.73 55.52 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 122.252 1.025 . . . . 0.0 112.118 170.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -83.43 -7.24 59.59 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.004 0.922 . . . . 0.0 112.003 175.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -118.64 -27.25 5.93 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.595 1.158 . . . . 0.0 113.463 -172.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.1 p -139.56 -179.33 5.84 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 173.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.8 m -73.31 5.02 3.92 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.271 1.428 . . . . 0.0 114.086 177.002 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 94.1 t80 -60.87 146.61 45.89 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 124.165 0.986 . . . . 0.0 112.593 178.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.4 p -138.9 152.82 48.08 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 124.975 1.31 . . . . 0.0 111.937 170.197 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 10.5 t -140.55 153.86 46.3 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.344 1.057 . . . . 0.0 111.914 -176.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -88.08 0.39 56.04 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.091 1.356 . . . . 0.0 112.505 171.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.1 t -131.09 122.79 27.33 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.852 1.661 . . . . 0.0 111.575 174.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -60.04 -31.37 69.91 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.748 1.219 . . . . 0.0 112.947 171.071 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -77.44 -37.71 30.59 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.241 0.924 . . . . 0.0 112.818 -178.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -72.58 -33.38 66.71 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 118.875 1.337 . . . . 0.0 111.143 172.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.2 tp -57.34 -37.51 72.67 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.188 -0.945 . . . . 0.0 112.415 173.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 65.6 tttt -60.28 -49.18 78.61 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.455 -0.778 . . . . 0.0 110.408 171.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.0 t -59.11 -42.52 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 CA-C-N 118.759 0.709 . . . . 0.0 112.071 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -54.14 -42.65 69.78 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.978 0.911 . . . . 0.0 111.936 173.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 81.4 mt -71.6 -40.36 70.98 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 O-C-N 120.877 -1.139 . . . . 0.0 111.15 174.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -63.55 -20.26 65.48 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.621 1.169 . . . . 0.0 114.097 178.071 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -108.82 -39.42 5.34 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.801 1.24 . . . . 0.0 113.906 -177.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.3 t -93.63 -42.57 13.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-N 118.049 0.386 . . . . 0.0 111.744 -175.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -116.34 18.29 15.27 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 115.213 1.56 . . . . 0.0 115.213 -169.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.7 tmmm? -84.54 135.24 34.3 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.043 1.337 . . . . 0.0 111.523 -177.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 67.7 mttm 49.13 44.45 22.97 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 126.323 1.849 . . . . 0.0 113.466 -171.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 11.9 tt -90.93 156.98 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 125.733 1.613 . . . . 0.0 112.056 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -130.38 144.24 51.27 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.556 1.542 . . . . 0.0 109.652 167.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -91.38 163.73 14.09 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.877 0.871 . . . . 0.0 110.711 -178.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 43.9 p-80 -140.54 148.8 41.57 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.265 -0.897 . . . . 0.0 113.264 169.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 51.7 t -77.69 125.58 29.55 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.369 1.468 . . . . 0.0 109.95 169.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.45 -18.48 59.87 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 176.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -85.52 -34.6 21.51 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.91 0.884 . . . . 0.0 113.365 -174.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.0 p -128.69 3.98 5.5 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm 60.73 15.68 6.05 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 126.832 2.053 . . . . 0.0 115.103 177.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -69.99 140.79 52.98 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.159 1.784 . . . . 0.0 111.365 175.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -95.42 146.16 24.61 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.251 1.021 . . . . 0.0 111.431 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -134.22 130.09 36.67 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.502 1.521 . . . . 0.0 112.193 -171.068 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 55.4 p -81.97 -14.47 55.99 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.487 1.515 . . . . 0.0 113.922 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -137.47 134.69 36.07 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 125.524 1.53 . . . . 0.0 109.976 172.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.6 p -60.27 -35.98 65.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 118.956 -0.545 . . . . 0.0 111.481 173.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -62.24 -37.53 85.77 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 119.531 1.06 . . . . 0.0 111.892 179.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -72.34 -30.81 65.09 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 174.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.9 tp -62.1 -42.63 99.41 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 118.782 0.719 . . . . 0.0 111.565 170.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 12.8 mm -61.86 -48.07 90.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-N 118.722 0.692 . . . . 0.0 110.486 177.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -59.03 -40.79 86.1 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.901 0.88 . . . . 0.0 112.113 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -61.61 -46.32 90.31 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.203 1.001 . . . . 0.0 112.924 171.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 58.9 mt -62.52 -42.48 95.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 CA-C-N 119.121 0.873 . . . . 0.0 110.726 176.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -63.19 -24.52 67.92 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 175.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -97.27 -45.1 6.63 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.727 1.211 . . . . 0.0 113.421 -179.255 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -99.73 -26.08 14.17 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.043 1.337 . . . . 0.0 114.024 -172.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 59.2 m-70 -132.45 30.41 4.15 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.133 1.373 . . . . 0.0 113.215 -170.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -51.25 132.61 32.49 Favored Pre-proline 0 CA--C 1.553 1.072 0 C-N-CA 124.777 1.231 . . . . 0.0 114.179 -169.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.03 137.99 22.37 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 123.28 2.653 . . . . 0.0 112.067 -177.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -139.41 124.99 19.33 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.916 1.286 . . . . 0.0 110.211 177.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 C--O 1.251 1.15 0 C-N-CA 125.332 1.453 . . . . 0.0 113.62 178.629 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.61 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 m -65.32 -13.01 57.51 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 115.359 1.614 . . . . 0.0 115.359 -172.152 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.1 p -74.57 -13.71 60.69 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.273 1.429 . . . . 0.0 114.02 172.219 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.76 -170.21 13.12 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 125.992 1.758 . . . . 0.0 113.744 177.162 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.0 m 60.92 173.94 0.1 Allowed 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 126.618 1.967 . . . . 0.0 115.118 -177.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -147.33 162.02 39.81 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.399 1.48 . . . . 0.0 111.49 177.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.86 147.54 49.62 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 124.438 1.018 . . . . 0.0 113.465 179.184 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -114.96 74.61 3.58 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 127.948 2.499 . . . . 0.0 112.672 -171.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.483 ' HD2' ' HA ' ' A' ' 20' ' ' ALA . 57.0 Cg_endo -72.99 -30.54 10.8 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 124.199 3.266 . . . . 0.0 115.228 -178.418 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -81.96 104.25 12.18 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.066 0.546 . . . . 0.0 110.875 -173.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -93.11 149.68 21.05 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.03 1.332 . . . . 0.0 112.351 -174.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.4 t -77.74 132.32 68.59 Favored Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 123.743 0.817 . . . . 0.0 109.537 169.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -77.24 -6.11 16.23 Favored 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 123.821 3.014 . . . . 0.0 112.278 173.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -115.34 -27.67 7.15 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.844 1.257 . . . . 0.0 113.359 -169.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.8 p -144.5 -174.6 4.36 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.85 0.86 . . . . 0.0 113.234 174.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.0 m -72.63 -0.08 12.01 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.344 1.458 . . . . 0.0 114.617 -177.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -62.34 145.67 53.23 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.955 1.302 . . . . 0.0 113.871 -178.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -144.47 149.61 36.27 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.574 1.55 . . . . 0.0 110.878 172.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.4 p -143.92 143.2 31.16 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.619 1.167 . . . . 0.0 113.37 -174.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.483 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -67.3 -13.72 62.25 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 116.209 1.929 . . . . 0.0 116.209 171.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 65.8 mt -137.12 131.29 45.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.091 1.357 . . . . 0.0 109.802 -169.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -62.42 -35.71 80.1 Favored 'General case' 0 N--CA 1.479 0.975 0 O-C-N 121.314 -0.866 . . . . 0.0 113.171 178.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.13 -35.54 71.65 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.039 0.836 . . . . 0.0 112.61 172.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 -74.75 -23.36 58.54 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.643 0.777 . . . . 0.0 112.452 175.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.4 tp -76.28 -46.65 26.92 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.299 -0.876 . . . . 0.0 111.097 167.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -54.08 -44.43 71.18 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.794 0.838 . . . . 0.0 111.413 178.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.91 -34.96 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 123.687 0.795 . . . . 0.0 112.484 -178.219 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -66.92 -39.89 87.5 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.691 1.196 . . . . 0.0 112.748 -179.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.7 mt -60.05 -22.67 62.97 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.991 0.917 . . . . 0.0 113.189 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.74 -23.02 64.62 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.271 1.428 . . . . 0.0 114.026 -177.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -79.77 -23.29 42.29 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 114.185 1.179 . . . . 0.0 114.185 176.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -88.03 -8.19 55.95 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -175.093 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 66.9 p -72.9 -35.51 67.12 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.266 -0.896 . . . . 0.0 112.644 177.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -93.82 -154.08 30.77 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 125.834 1.683 . . . . 0.0 113.299 179.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -127.39 144.47 51.05 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.933 1.293 . . . . 0.0 112.57 178.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt -94.85 107.61 19.63 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.077 1.351 . . . . 0.0 110.891 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -94.17 109.02 20.84 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 125.962 1.705 . . . . 0.0 109.279 177.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.42 145.31 24.86 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.895 1.278 . . . . 0.0 113.319 -174.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.5 t -68.52 141.3 55.58 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 122.013 0.911 . . . . 0.0 111.683 172.064 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -84.54 -4.84 59.18 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.822 0.849 . . . . 0.0 111.795 173.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -119.87 -26.79 5.54 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.984 1.314 . . . . 0.0 113.458 -170.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.9 p -139.1 -175.52 4.19 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.423 1.089 . . . . 0.0 112.896 169.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.0 p -76.52 5.12 7.84 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.496 1.518 . . . . 0.0 114.299 177.235 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -61.67 146.79 48.02 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.807 1.243 . . . . 0.0 113.253 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 79.7 p -140.59 155.85 46.45 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.355 1.462 . . . . 0.0 112.174 169.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.5 t -146.11 157.08 43.83 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.93 0.892 . . . . 0.0 112.408 177.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.33 -3.6 58.89 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.416 1.486 . . . . 0.0 114.098 179.126 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.3 m -134.01 134.48 42.5 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.407 1.483 . . . . 0.0 111.81 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -69.65 -34.72 74.41 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.474 1.11 . . . . 0.0 112.901 -175.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -66.59 -32.76 82.47 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 123.737 0.684 . . . . 0.0 113.253 173.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -74.16 -32.48 63.13 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.294 -1.121 . . . . 0.0 112.091 174.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.62 -43.99 97.83 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.032 0.833 . . . . 0.0 110.987 169.199 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -56.17 -50.77 70.23 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 118.886 -0.578 . . . . 0.0 111.055 173.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.8 t -60.1 -39.93 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-N 118.775 0.716 . . . . 0.0 111.886 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -57.31 -47.01 82.62 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.257 0.623 . . . . 0.0 112.083 175.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.3 mt -70.29 -40.63 78.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 O-C-N 120.909 -1.119 . . . . 0.0 110.98 178.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -69.0 -12.46 61.7 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.649 1.58 . . . . 0.0 114.403 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -111.65 -40.69 4.25 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 174.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.8 t -90.83 -46.68 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-N 118.329 0.513 . . . . 0.0 111.384 -173.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -108.32 18.84 20.59 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.989 1.316 . . . . 0.0 114.385 -173.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.23 120.53 12.9 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.479 1.511 . . . . 0.0 111.021 -176.161 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.8 ttpp 47.34 52.91 11.6 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.443 1.897 . . . . 0.0 113.307 -172.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 17.3 tt -62.87 144.91 13.99 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 C-N-CA 123.912 0.885 . . . . 0.0 111.476 173.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -72.28 154.8 40.77 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.181 0.992 . . . . 0.0 111.912 177.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 44.1 mm-40 -131.54 173.7 10.85 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.396 1.478 . . . . 0.0 111.734 -174.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 42.6 p-80 -131.72 145.13 51.46 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 173.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.1 t -76.02 124.08 26.8 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.543 1.537 . . . . 0.0 109.007 168.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.83 -14.27 59.62 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 175.713 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -89.32 -36.34 15.6 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.144 0.978 . . . . 0.0 113.001 -177.092 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.269 16.7 p -129.86 10.62 5.53 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 116.1 1.889 . . . . 0.0 116.1 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.0 mmtt 59.54 13.23 3.2 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 127.498 2.319 . . . . 0.0 115.212 172.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 35.8 mttp -72.76 141.55 48.12 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 127.193 2.197 . . . . 0.0 111.473 176.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 63.0 mtpt -96.64 142.6 28.49 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.144 0.978 . . . . 0.0 111.752 175.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -125.9 141.86 51.78 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.911 1.684 . . . . 0.0 113.039 -169.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 49.2 p -75.73 -20.49 58.29 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.306 1.842 . . . . 0.0 114.724 -172.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -151.67 143.86 23.98 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.887 2.075 . . . . 0.0 107.676 178.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.6 p -56.97 -37.09 52.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 O-C-N 121.56 -0.713 . . . . 0.0 111.25 171.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -62.84 -34.95 78.41 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.485 1.039 . . . . 0.0 112.269 178.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -72.61 -34.87 67.66 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.355 0.662 . . . . 0.0 111.622 175.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.3 tp -61.55 -40.75 95.82 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.448 0.699 . . . . 0.0 112.015 173.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 13.3 mm -61.56 -46.58 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 O-C-N 121.695 -0.628 . . . . 0.0 110.407 177.206 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -61.75 -40.75 96.22 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.263 0.625 . . . . 0.0 111.887 178.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 64.6 t60 -58.59 -45.1 89.81 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.881 0.872 . . . . 0.0 112.666 170.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 50.0 mt -63.17 -44.24 99.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 O-C-N 121.374 -0.829 . . . . 0.0 111.05 176.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -66.0 -21.8 66.42 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 177.019 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -97.11 -40.66 8.71 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.62 1.168 . . . . 0.0 113.687 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.23 -25.27 11.58 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -172.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -126.44 25.82 6.47 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.31 1.444 . . . . 0.0 113.249 -173.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -55.0 138.21 65.35 Favored Pre-proline 0 CA--C 1.551 0.983 0 C-N-CA 125.473 1.509 . . . . 0.0 113.935 -174.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.35 152.44 49.63 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 123.808 3.005 . . . . 0.0 113.14 -175.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -107.84 124.84 50.68 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.996 1.718 . . . . 0.0 110.352 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.3 t70 . . . . . 0 C--O 1.25 1.129 0 C-N-CA 125.648 1.579 . . . . 0.0 113.052 170.865 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.547 0 N-CA-C 111.729 -0.548 . . . . 0.0 111.729 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.0 p -77.15 166.49 23.18 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.005 1.322 . . . . 0.0 113.299 177.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.9 t -143.28 147.63 35.09 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.192 1.397 . . . . 0.0 111.818 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.15 -18.21 62.37 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.395 0.998 . . . . 0.0 114.292 176.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.0 m -67.09 -21.17 65.88 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.439 1.096 . . . . 0.0 113.226 172.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.6 m -95.78 45.49 1.08 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.927 1.691 . . . . 0.0 111.719 177.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.66 141.53 40.54 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.375 1.464 . . . . 0.0 114.363 -173.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -119.26 75.97 16.33 Favored Pre-proline 0 CA--C 1.54 0.584 0 C-N-CA 128.166 2.586 . . . . 0.0 110.802 -169.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 20' ' ' ALA . 57.8 Cg_endo -68.57 -27.97 32.16 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.688 2.925 . . . . 0.0 114.172 -178.216 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -86.97 93.09 9.25 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 121.71 0.767 . . . . 0.0 111.656 -171.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -88.21 149.19 24.0 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.768 2.027 . . . . 0.0 112.464 -177.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.1 t -77.71 136.39 63.32 Favored Pre-proline 0 CA--C 1.548 0.887 0 C-N-CA 124.758 1.223 . . . . 0.0 110.227 169.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -78.69 -9.45 15.86 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 123.884 3.056 . . . . 0.0 112.265 173.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -110.1 -28.96 8.42 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.345 1.058 . . . . 0.0 113.453 -172.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.6 p -142.24 -175.63 4.51 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.791 0.836 . . . . 0.0 113.076 177.249 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.2 p -74.04 0.03 14.96 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.288 1.435 . . . . 0.0 114.707 -178.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -61.22 145.53 50.88 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.044 1.338 . . . . 0.0 114.035 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.21 152.72 35.05 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.212 1.405 . . . . 0.0 111.344 169.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.5 t -143.43 149.63 37.89 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 173.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.424 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -67.51 -11.21 57.44 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.331 1.852 . . . . 0.0 115.111 167.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.9 mt -120.14 129.44 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.678 1.191 . . . . 0.0 109.638 -179.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -72.88 -30.51 64.01 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 121.204 -0.935 . . . . 0.0 112.395 -177.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.4 -35.11 76.6 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 121.102 -0.999 . . . . 0.0 112.162 169.115 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -70.77 -18.55 62.76 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.564 0.746 . . . . 0.0 112.985 173.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.0 tp -80.35 -41.8 24.1 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.165 -0.959 . . . . 0.0 111.321 167.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -65.34 -38.46 90.17 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.088 -1.007 . . . . 0.0 112.293 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.2 p -65.86 -32.07 56.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 123.634 0.774 . . . . 0.0 112.445 173.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -75.33 -35.47 61.2 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.84 0.856 . . . . 0.0 112.633 -173.092 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 72.6 mt -62.76 -21.47 65.87 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.65 0.78 . . . . 0.0 112.607 176.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -62.12 -35.7 79.55 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.523 1.129 . . . . 0.0 112.153 174.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.2 mttt -67.15 -26.84 66.86 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 125.109 1.363 . . . . 0.0 112.696 -178.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -77.14 2.15 16.14 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 173.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.8 p -95.04 178.01 5.69 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.787 1.235 . . . . 0.0 112.067 169.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.71 24.51 23.13 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 124.579 1.085 . . . . 0.0 114.398 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -137.14 145.47 43.84 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.131 1.773 . . . . 0.0 110.205 178.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -75.13 111.19 10.11 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.676 0.75 . . . . 0.0 112.315 -178.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -103.65 122.52 45.2 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.646 1.578 . . . . 0.0 109.48 169.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.13 147.28 23.17 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.705 1.202 . . . . 0.0 113.234 174.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.4 t -66.15 143.26 57.39 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 122.191 0.996 . . . . 0.0 111.866 171.152 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -81.82 -6.35 58.99 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.88 0.872 . . . . 0.0 112.075 175.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -121.26 -27.02 4.95 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.477 1.111 . . . . 0.0 113.619 -171.113 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.5 p -139.56 -178.82 5.57 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.138 0.975 . . . . 0.0 113.295 172.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.9 m -73.51 4.55 4.72 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.157 1.383 . . . . 0.0 113.997 177.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -61.5 148.4 42.12 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 124.522 1.129 . . . . 0.0 113.084 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.3 p -141.77 152.46 43.79 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 125.223 1.409 . . . . 0.0 112.211 173.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 10.1 t -149.17 156.58 42.38 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.301 1.041 . . . . 0.0 112.138 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 88.6 mt -88.64 -7.26 56.67 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.698 1.199 . . . . 0.0 113.815 174.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.8 t -117.78 128.25 54.69 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.616 1.167 . . . . 0.0 111.21 175.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -67.9 -32.85 73.62 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.614 1.165 . . . . 0.0 111.415 176.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.4 -42.97 80.43 Favored Glycine 0 CA--C 1.531 1.07 0 C-N-CA 124.551 1.072 . . . . 0.0 112.705 173.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -69.3 -33.23 72.86 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.454 1.127 . . . . 0.0 112.237 175.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 70.0 tp -64.98 -40.59 95.19 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.948 0.795 . . . . 0.0 112.169 170.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.6 tttt -57.62 -50.55 72.77 Favored 'General case' 0 C--N 1.341 0.231 0 O-C-N 121.516 -0.74 . . . . 0.0 109.763 171.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.7 t -58.6 -41.27 81.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 CA-C-N 119.104 0.865 . . . . 0.0 112.206 178.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -55.34 -46.65 76.38 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.499 0.72 . . . . 0.0 112.07 174.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 87.7 mt -71.57 -40.06 70.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 O-C-N 120.812 -1.18 . . . . 0.0 111.468 178.16 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -68.56 -12.91 61.92 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.568 1.547 . . . . 0.0 113.547 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.7 ptt180 -114.21 -42.92 3.27 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.936 1.294 . . . . 0.0 114.403 176.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 40.4 t -88.06 -45.94 15.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-N 118.433 0.56 . . . . 0.0 110.995 -173.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -104.97 19.55 20.39 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.22 1.408 . . . . 0.0 113.593 -175.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -74.19 153.23 39.58 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.203 1.401 . . . . 0.0 111.326 171.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 73.8 tttt 53.99 47.02 24.34 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.48 1.912 . . . . 0.0 112.893 -177.063 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 13.1 tt -109.85 150.36 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 126.162 1.785 . . . . 0.0 111.092 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -82.18 79.27 8.72 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.337 1.055 . . . . 0.0 111.628 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -66.16 166.02 12.6 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.527 1.531 . . . . 0.0 111.281 168.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 46.3 p-80 -141.63 149.46 40.71 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 172.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 44.9 t -78.74 127.94 32.75 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.924 1.69 . . . . 0.0 110.495 169.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.41 -15.81 59.16 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 176.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -87.93 -35.33 17.74 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.704 0.802 . . . . 0.0 113.148 -175.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 25.8 p -130.09 3.33 4.8 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 -178.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.2 mptt 61.0 18.28 8.76 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 126.411 1.884 . . . . 0.0 114.012 176.253 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -72.13 137.39 46.97 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.419 1.488 . . . . 0.0 110.841 173.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -88.83 145.16 25.74 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.81 0.844 . . . . 0.0 112.341 175.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -132.1 133.55 44.45 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.09 1.756 . . . . 0.0 110.555 -176.241 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.4 m -87.52 -4.98 58.98 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 -175.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -142.04 142.61 32.89 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 125.586 1.554 . . . . 0.0 108.757 169.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.9 p -59.95 -36.24 65.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 119.063 -0.494 . . . . 0.0 110.639 170.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -52.91 -45.17 67.46 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.022 0.929 . . . . 0.0 112.795 178.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -78.94 -23.72 44.44 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.63 -43.34 97.12 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 119.187 0.903 . . . . 0.0 111.345 169.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.3 mm -61.12 -47.73 92.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 CA-C-N 118.489 0.586 . . . . 0.0 110.271 176.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -57.86 -42.89 85.46 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.67 1.188 . . . . 0.0 112.001 177.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -60.77 -45.17 95.39 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 124.516 1.126 . . . . 0.0 112.906 172.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 58.6 mt -63.26 -42.63 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 O-C-N 121.331 -0.855 . . . . 0.0 110.799 176.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 77.3 mtp85 -64.63 -23.56 67.3 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 175.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -97.06 -41.9 8.14 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.526 1.131 . . . . 0.0 113.516 -178.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -106.04 -24.77 12.31 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.818 1.247 . . . . 0.0 114.168 -171.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -129.08 27.44 5.39 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.154 1.382 . . . . 0.0 113.321 -172.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -53.99 136.46 57.16 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 125.032 1.333 . . . . 0.0 113.756 -173.144 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -76.83 148.06 28.01 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 123.308 2.672 . . . . 0.0 113.67 -170.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -142.99 134.43 26.22 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.157 1.783 . . . . 0.0 109.491 172.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.5 t70 . . . . . 0 C--O 1.252 1.227 0 C-N-CA 125.897 1.679 . . . . 0.0 112.682 177.897 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.518 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.4 m -137.01 153.76 50.57 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.133 1.373 . . . . 0.0 112.279 -175.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.1 m -68.74 154.28 42.24 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.69 1.196 . . . . 0.0 112.908 178.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.3 -179.49 45.88 Favored Glycine 0 CA--C 1.536 1.376 0 C-N-CA 124.382 0.991 . . . . 0.0 113.751 179.079 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.5 m -66.89 153.47 43.41 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.837 1.255 . . . . 0.0 113.214 -178.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t -146.78 175.77 10.37 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.276 1.43 . . . . 0.0 112.047 -179.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.7 150.81 27.34 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.932 1.73 . . . . 0.0 113.692 -176.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -118.79 71.57 10.49 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 127.946 2.499 . . . . 0.0 112.011 -169.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.498 ' HD2' ' HA ' ' A' ' 20' ' ' ALA . 32.1 Cg_endo -65.63 -31.86 49.01 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 124.251 3.301 . . . . 0.0 115.577 -176.636 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -81.15 108.58 14.92 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.15 0.58 . . . . 0.0 110.779 -175.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -101.72 149.59 24.0 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.375 1.47 . . . . 0.0 112.615 -174.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.7 t -76.83 136.37 66.9 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 123.88 0.872 . . . . 0.0 110.51 170.092 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -77.65 -11.07 17.09 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 123.859 3.039 . . . . 0.0 112.461 174.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -112.69 -26.19 8.73 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -173.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.2 p -142.01 -176.83 4.94 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 176.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.3 p -73.25 0.7 11.13 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.307 1.443 . . . . 0.0 114.546 -178.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -60.56 144.83 50.71 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.02 1.328 . . . . 0.0 113.864 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.75 153.91 38.84 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.353 1.461 . . . . 0.0 111.584 172.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.5 t -148.72 152.36 36.5 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 170.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.498 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -62.03 -14.39 35.39 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 115.27 1.581 . . . . 0.0 115.27 168.206 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.1 mt -125.1 133.28 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.558 1.143 . . . . 0.0 111.075 -170.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -63.6 -39.57 94.72 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.229 1.012 . . . . 0.0 112.922 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.27 -34.41 75.13 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.911 0.884 . . . . 0.0 113.052 175.176 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -68.28 -37.9 81.16 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.494 -0.754 . . . . 0.0 111.572 173.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.2 tp -64.28 -45.98 85.66 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.158 -0.964 . . . . 0.0 111.625 170.568 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -54.97 -45.55 74.96 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.169 0.895 . . . . 0.0 111.913 177.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.32 -35.75 64.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 123.15 0.58 . . . . 0.0 112.239 -176.606 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -64.61 -41.24 96.33 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.224 1.009 . . . . 0.0 112.734 179.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.8 mt -59.86 -21.71 61.33 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.319 1.048 . . . . 0.0 113.214 -178.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -58.18 -28.46 64.79 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.834 1.254 . . . . 0.0 113.375 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -78.23 -16.29 57.97 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 177.449 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -90.71 14.34 13.71 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.775 1.63 . . . . 0.0 113.679 178.114 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.0 t -149.96 -177.67 6.04 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.778 2.031 . . . . 0.0 110.059 178.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.43 -146.68 21.82 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 124.188 0.899 . . . . 0.0 114.294 169.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -127.68 150.64 49.67 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.621 1.568 . . . . 0.0 112.508 -173.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -77.63 110.98 12.91 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.77 0.795 . . . . 0.0 111.495 176.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -98.98 121.06 40.44 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 125.341 1.457 . . . . 0.0 109.713 169.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -93.5 148.54 21.99 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.903 1.281 . . . . 0.0 113.178 176.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.9 t -66.77 142.43 57.38 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 122.133 0.968 . . . . 0.0 111.764 171.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -82.14 -5.9 58.79 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.844 0.858 . . . . 0.0 111.992 175.336 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -120.88 -26.93 5.11 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.58 1.152 . . . . 0.0 113.683 -170.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.1 p -139.34 -177.06 4.76 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.033 0.933 . . . . 0.0 113.275 171.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.6 p -74.51 3.68 7.24 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.491 1.516 . . . . 0.0 114.206 176.345 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -60.05 147.51 38.97 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 124.37 1.068 . . . . 0.0 113.023 178.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 38.2 p -142.19 151.15 41.9 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 125.422 1.489 . . . . 0.0 111.843 173.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.6 t -148.67 151.45 34.96 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.045 0.938 . . . . 0.0 111.689 174.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -82.13 -8.93 59.67 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.463 1.105 . . . . 0.0 112.883 173.045 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.3 m -118.89 111.26 18.16 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.557 1.543 . . . . 0.0 111.249 177.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.1 pttt -58.24 -33.11 68.99 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.938 1.295 . . . . 0.0 113.732 177.087 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.96 -36.9 92.67 Favored Glycine 0 CA--C 1.536 1.404 0 O-C-N 122.043 -0.411 . . . . 0.0 113.23 175.066 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -72.95 -35.35 66.95 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.464 1.132 . . . . 0.0 111.941 172.161 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 62.4 tp -61.26 -39.09 89.07 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 118.675 0.671 . . . . 0.0 112.243 172.27 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -59.52 -50.09 75.24 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 121.522 -0.736 . . . . 0.0 110.197 172.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 89.0 t -60.15 -39.0 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 118.516 0.598 . . . . 0.0 112.026 177.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 67.9 t60 -57.57 -44.58 85.42 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.813 0.845 . . . . 0.0 112.048 174.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.3 mt -72.36 -38.43 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 O-C-N 120.808 -1.183 . . . . 0.0 111.157 176.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -69.48 -12.66 61.84 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.961 1.304 . . . . 0.0 113.541 178.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.1 ptt180 -112.53 -42.23 3.7 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.953 1.301 . . . . 0.0 114.06 177.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.8 t -90.66 -46.89 14.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 122.81 0.444 . . . . 0.0 111.33 -174.176 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -107.64 18.36 21.51 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.109 1.364 . . . . 0.0 113.978 -171.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -60.83 112.39 2.02 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.732 1.613 . . . . 0.0 111.232 -177.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 66.2 mttm 45.44 47.15 10.88 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.844 2.058 . . . . 0.0 113.91 -172.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 20.1 tt -65.96 142.95 16.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 124.381 1.072 . . . . 0.0 111.758 176.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -86.24 95.5 9.63 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.184 0.994 . . . . 0.0 111.475 -175.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 18.7 mm100 -75.35 164.96 25.87 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.834 1.254 . . . . 0.0 109.985 169.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 37.9 p-80 -133.43 147.09 51.7 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 43.5 t -73.92 126.33 30.21 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.682 1.593 . . . . 0.0 109.439 169.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.96 -7.7 59.63 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 175.174 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -96.88 -34.78 11.13 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.179 0.992 . . . . 0.0 112.888 -178.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.274 17.4 p -131.74 11.16 4.77 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 116.273 1.953 . . . . 0.0 116.273 179.436 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm 57.01 19.73 4.87 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 126.976 2.11 . . . . 0.0 115.156 173.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.1 mttp -77.6 141.27 39.59 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 127.216 2.207 . . . . 0.0 111.404 176.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -98.02 143.17 28.86 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.347 1.059 . . . . 0.0 112.494 177.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -135.55 114.55 12.16 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.534 1.934 . . . . 0.0 110.596 -173.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.8 m -75.12 -7.68 54.45 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.841 1.257 . . . . 0.0 114.2 -178.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -133.72 120.36 20.47 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.687 1.595 . . . . 0.0 109.153 174.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.0 p -63.27 -35.88 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 O-C-N 121.778 -0.577 . . . . 0.0 112.35 -173.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -58.29 -34.37 70.47 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.145 0.884 . . . . 0.0 112.349 177.254 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -77.09 -29.12 54.8 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.181 0.592 . . . . 0.0 112.348 176.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.19 -43.4 98.92 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 118.836 0.744 . . . . 0.0 110.987 169.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 15.7 mm -61.29 -46.72 96.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 O-C-N 121.926 -0.484 . . . . 0.0 110.481 176.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -60.09 -44.44 94.82 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.077 0.551 . . . . 0.0 111.465 178.081 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -58.14 -42.42 85.81 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.584 1.154 . . . . 0.0 113.059 173.265 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 52.1 mt -64.56 -43.48 96.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 O-C-N 121.329 -0.857 . . . . 0.0 110.745 175.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -68.4 -22.81 64.61 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 115.11 1.522 . . . . 0.0 115.11 174.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -86.93 -45.23 11.01 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.301 1.041 . . . . 0.0 112.528 178.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.58 -25.55 11.3 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 -171.227 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -130.47 21.54 5.15 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 -169.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -57.66 128.11 79.36 Favored Pre-proline 0 CA--C 1.551 1.002 0 C-N-CA 124.372 1.069 . . . . 0.0 112.524 -169.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.97 145.14 49.4 Favored 'Trans proline' 0 CA--C 1.537 0.631 0 C-N-CA 123.131 2.554 . . . . 0.0 114.138 -169.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -140.83 129.78 23.23 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.562 1.945 . . . . 0.0 109.336 176.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 . . . . . 0 C--O 1.254 1.29 0 C-N-CA 125.071 1.348 . . . . 0.0 113.842 173.944 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.527 0 N-CA-C 111.772 -0.531 . . . . 0.0 111.772 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.2 m -68.32 150.45 48.2 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.514 1.126 . . . . 0.0 113.097 -179.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 t -76.58 158.33 31.24 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.194 0.997 . . . . 0.0 112.49 176.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.59 163.55 34.86 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 125.147 1.356 . . . . 0.0 113.098 178.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.1 p -76.25 141.25 41.78 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.482 1.113 . . . . 0.0 113.233 -178.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -155.84 155.64 33.31 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.475 1.51 . . . . 0.0 111.179 175.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.66 -69.66 1.36 Allowed Glycine 0 CA--C 1.534 1.266 0 C-N-CA 124.42 1.009 . . . . 0.0 112.825 -179.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.3 mttt 48.09 63.74 9.78 Favored Pre-proline 0 N--CA 1.481 1.107 0 C-N-CA 126.651 1.98 . . . . 0.0 112.856 176.135 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -60.66 -29.49 88.53 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 124.519 3.479 . . . . 0.0 114.543 -174.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -92.53 101.8 14.24 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.356 0.662 . . . . 0.0 111.233 -173.068 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -97.98 150.52 21.28 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.862 1.665 . . . . 0.0 111.785 -177.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.3 t -76.42 136.55 68.18 Favored Pre-proline 0 CA--C 1.548 0.869 0 C-N-CA 124.162 0.985 . . . . 0.0 110.213 169.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -77.57 -10.39 17.24 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 123.882 3.055 . . . . 0.0 112.426 175.177 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -113.98 -25.94 8.34 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -172.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.7 p -142.57 -178.61 5.85 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.588 0.959 . . . . 0.0 113.588 177.076 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.7 m -70.98 -0.31 9.07 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.358 1.463 . . . . 0.0 114.594 -176.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -61.28 143.43 55.68 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.021 1.328 . . . . 0.0 113.686 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.7 153.74 36.13 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.141 1.376 . . . . 0.0 111.109 169.051 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.1 t -145.61 161.59 39.46 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.132 0.973 . . . . 0.0 112.742 175.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.92 1.46 55.37 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.371 1.468 . . . . 0.0 113.403 171.111 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 57.9 mt -126.23 118.17 50.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 125.353 1.461 . . . . 0.0 108.998 178.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.0 pttt -69.19 -25.03 64.13 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -178.216 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.62 -30.7 71.72 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.152 0.581 . . . . 0.0 112.397 168.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -71.39 -39.03 71.44 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.951 0.9 . . . . 0.0 110.766 173.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.82 -46.21 91.42 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.298 -0.876 . . . . 0.0 111.862 169.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -55.24 -46.02 76.03 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.36 0.982 . . . . 0.0 111.773 175.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.29 -35.46 62.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 123.175 0.59 . . . . 0.0 112.466 -176.376 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -64.57 -41.85 96.03 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.64 1.176 . . . . 0.0 112.716 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.6 mt -58.85 -23.15 60.36 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.4 1.08 . . . . 0.0 113.361 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.3 mtp-105 -59.78 -22.94 62.84 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.127 1.371 . . . . 0.0 114.047 -178.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -77.4 -28.12 52.6 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 174.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -83.96 -22.1 31.56 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.599 1.159 . . . . 0.0 113.577 -176.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 49.2 p -68.53 -29.69 68.32 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 121.486 -0.758 . . . . 0.0 112.072 171.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.65 66.85 2.34 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 126.581 2.039 . . . . 0.0 112.359 175.045 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -63.2 137.31 58.17 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.374 1.47 . . . . 0.0 113.93 -171.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -91.92 110.5 21.86 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.297 1.039 . . . . 0.0 110.477 170.268 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -83.32 107.19 15.68 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 126.27 1.828 . . . . 0.0 108.914 175.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -95.86 145.12 25.62 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.761 1.225 . . . . 0.0 113.077 -175.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.4 t -68.44 139.57 55.75 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 122.131 0.967 . . . . 0.0 111.513 172.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -83.51 -6.43 59.45 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.714 0.806 . . . . 0.0 111.732 172.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -116.67 -26.53 6.97 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.099 1.36 . . . . 0.0 113.101 -170.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.5 p -141.06 -173.17 3.65 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.468 1.107 . . . . 0.0 112.826 169.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.8 p -76.69 3.93 10.6 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.597 1.559 . . . . 0.0 114.31 176.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -60.79 147.09 43.78 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.281 1.032 . . . . 0.0 113.368 -179.062 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.2 p -144.35 150.42 37.75 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.491 1.516 . . . . 0.0 112.413 173.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 10.3 t -143.83 157.9 44.06 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.404 1.082 . . . . 0.0 111.824 172.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -83.26 -0.84 51.37 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.669 1.188 . . . . 0.0 113.287 176.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 64.4 m -133.4 129.67 37.66 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.203 1.401 . . . . 0.0 112.134 178.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -60.18 -36.49 77.73 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.238 1.415 . . . . 0.0 114.125 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.4 -34.42 79.66 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 123.176 0.417 . . . . 0.0 112.848 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 53.7 m170 -71.65 -33.72 69.15 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.248 -1.148 . . . . 0.0 112.125 172.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 54.6 tp -61.54 -43.49 98.76 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 118.797 0.726 . . . . 0.0 111.52 169.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.3 tttp -57.35 -52.25 66.1 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 118.548 -0.739 . . . . 0.0 110.11 173.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.7 t -58.27 -40.05 76.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 CA-C-N 119.146 0.885 . . . . 0.0 112.213 178.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -58.22 -46.09 86.5 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.291 0.637 . . . . 0.0 112.446 174.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 80.0 mt -70.77 -38.04 71.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 O-C-N 120.795 -1.19 . . . . 0.0 111.052 177.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -69.75 -11.61 60.99 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.53 1.532 . . . . 0.0 113.639 179.178 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.4 ptt180 -114.07 -41.47 3.52 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.917 1.287 . . . . 0.0 113.722 177.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.9 t -91.23 -47.81 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 122.952 0.501 . . . . 0.0 111.341 -174.071 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -106.1 17.62 23.27 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.0 1.32 . . . . 0.0 113.949 -172.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -61.6 135.79 57.77 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.198 1.799 . . . . 0.0 111.358 178.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 73.6 tttt 54.81 47.64 21.9 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.782 2.033 . . . . 0.0 113.544 178.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.7 tt -104.64 156.66 5.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 125.501 1.52 . . . . 0.0 110.795 170.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -143.16 124.18 14.4 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.094 1.358 . . . . 0.0 110.428 174.094 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -73.74 130.06 39.2 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 172.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 36.2 p-80 -140.22 141.94 35.87 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -171.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 43.1 t -67.24 140.13 57.38 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.908 1.283 . . . . 0.0 112.497 178.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.97 -22.97 52.39 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.84 1.656 . . . . 0.0 113.039 176.749 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -108.42 -33.13 7.17 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -167.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 22.4 p -127.55 3.45 6.19 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp 57.98 17.81 4.65 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.628 1.971 . . . . 0.0 115.046 178.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -67.56 137.66 55.88 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.466 1.506 . . . . 0.0 110.878 175.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -90.48 144.73 25.5 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.148 0.979 . . . . 0.0 111.532 176.276 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -130.88 131.86 44.79 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.122 1.369 . . . . 0.0 112.478 -173.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.3 m -76.11 -21.25 56.87 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.441 1.096 . . . . 0.0 113.803 -177.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -136.88 131.04 32.61 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.992 1.717 . . . . 0.0 109.681 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.81 -36.78 78.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 121.74 -0.6 . . . . 0.0 112.516 -174.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -61.18 -33.52 73.57 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 121.199 -0.938 . . . . 0.0 112.254 178.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -76.34 -26.25 55.56 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 174.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.2 tp -64.92 -42.52 94.64 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 119.286 0.948 . . . . 0.0 110.938 169.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 16.0 mm -61.9 -48.44 88.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 O-C-N 121.906 -0.497 . . . . 0.0 110.155 175.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -57.19 -43.03 82.3 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.456 1.102 . . . . 0.0 111.952 177.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -59.59 -44.29 93.4 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.54 1.136 . . . . 0.0 112.844 172.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 59.5 mt -63.12 -44.8 99.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 O-C-N 121.311 -0.868 . . . . 0.0 110.848 175.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -65.48 -25.07 67.32 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 177.218 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -93.64 -42.04 9.4 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.577 1.151 . . . . 0.0 113.696 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -104.89 -24.46 12.86 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 -171.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -129.56 24.59 5.43 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.011 1.324 . . . . 0.0 113.451 -171.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -51.85 136.78 35.89 Favored Pre-proline 0 CA--C 1.553 1.079 0 C-N-CA 125.363 1.465 . . . . 0.0 114.438 -175.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -77.83 155.45 30.67 Favored 'Trans proline' 0 CA--C 1.538 0.719 0 C-N-CA 123.728 2.952 . . . . 0.0 113.194 -176.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -138.97 133.83 32.29 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.088 1.755 . . . . 0.0 110.007 174.024 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.5 t70 . . . . . 0 C--O 1.251 1.176 0 C-N-CA 125.35 1.46 . . . . 0.0 113.456 176.411 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.509 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.8 m -135.0 164.73 26.97 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.41 1.484 . . . . 0.0 112.258 -175.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.1 m -56.54 122.33 11.74 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.784 0.834 . . . . 0.0 111.831 178.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.69 9.28 78.55 Favored Glycine 0 CA--C 1.539 1.543 0 N-CA-C 115.922 1.129 . . . . 0.0 115.922 -178.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.8 p -75.51 -9.88 58.96 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 119.432 1.616 . . . . 0.0 114.969 -178.225 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.5 p -136.75 152.4 50.29 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.647 1.579 . . . . 0.0 112.635 178.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.57 -153.89 30.5 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.209 1.385 . . . . 0.0 113.985 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 52.65 61.89 10.97 Favored Pre-proline 0 N--CA 1.481 1.108 0 C-N-CA 126.65 1.98 . . . . 0.0 113.841 177.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -62.14 -30.94 82.87 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 124.389 3.393 . . . . 0.0 115.494 -177.244 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -84.75 102.99 13.45 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.332 0.653 . . . . 0.0 111.257 -175.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -98.91 150.08 22.28 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.746 1.618 . . . . 0.0 112.461 -177.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.1 t -77.26 136.36 65.25 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 124.493 1.117 . . . . 0.0 110.419 170.134 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -78.16 -10.33 16.44 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 123.838 3.025 . . . . 0.0 112.319 174.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -113.21 -25.83 8.7 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -172.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.9 p -142.88 -177.84 5.52 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 175.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.8 m -71.61 0.75 7.88 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.242 1.417 . . . . 0.0 114.435 -177.243 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -62.07 144.39 55.32 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.953 1.301 . . . . 0.0 114.014 -179.011 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.38 153.68 38.9 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.841 1.256 . . . . 0.0 111.751 169.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.8 t -146.39 168.77 20.31 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.688 1.195 . . . . 0.0 112.362 173.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.32 0.44 56.81 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.368 1.467 . . . . 0.0 114.451 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 45.3 mt -135.19 136.76 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.278 1.431 . . . . 0.0 110.225 -171.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -61.47 -43.08 99.5 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.62 1.168 . . . . 0.0 112.486 176.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.73 -34.54 74.56 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.859 0.864 . . . . 0.0 113.041 175.015 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 -71.05 -19.84 62.44 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 175.415 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.9 tp -82.19 -40.45 21.71 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.412 -0.805 . . . . 0.0 111.074 167.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -62.71 -42.81 99.84 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 120.924 -1.11 . . . . 0.0 112.084 178.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.2 p -62.79 -31.06 50.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 175.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -77.9 -40.56 39.42 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.813 0.845 . . . . 0.0 111.924 -175.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.1 mt -61.71 -21.48 64.52 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.207 1.003 . . . . 0.0 112.937 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.7 mtp-105 -48.81 -38.94 23.58 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.721 1.608 . . . . 0.0 113.335 175.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -74.41 -21.03 59.83 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 114.325 1.232 . . . . 0.0 114.325 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -93.03 5.02 52.96 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.45 1.9 . . . . 0.0 113.978 -178.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 59.4 p -74.21 160.29 31.36 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 -174.074 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -173.23 -170.45 36.85 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 124.815 1.197 . . . . 0.0 112.589 -172.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -69.03 143.73 54.23 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.438 0.695 . . . . 0.0 112.373 177.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -78.13 111.4 14.02 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.505 0.669 . . . . 0.0 111.217 175.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -100.57 118.78 37.43 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 124.814 1.246 . . . . 0.0 109.76 170.349 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.41 146.12 26.01 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.072 0.949 . . . . 0.0 111.944 171.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.5 t -64.17 142.71 58.32 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 122.239 1.018 . . . . 0.0 111.489 171.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -80.55 -4.95 55.92 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.68 0.792 . . . . 0.0 112.089 176.104 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -123.72 -26.62 4.11 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.581 1.152 . . . . 0.0 113.814 -170.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.9 p -139.1 -177.26 4.82 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.346 1.059 . . . . 0.0 113.344 171.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.5 p -75.04 3.6 8.15 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.608 1.563 . . . . 0.0 114.335 176.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -60.31 149.06 34.69 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.326 1.05 . . . . 0.0 113.007 178.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.7 p -141.6 151.43 43.13 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.172 1.389 . . . . 0.0 112.168 175.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.2 t -149.54 154.44 38.74 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.223 1.009 . . . . 0.0 112.515 -179.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 45.9 mt -87.94 -3.17 58.94 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.162 1.385 . . . . 0.0 113.318 175.181 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t -127.65 129.79 47.81 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.681 1.592 . . . . 0.0 111.507 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.1 tptt -69.49 -33.81 73.41 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.204 1.402 . . . . 0.0 111.933 177.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.17 -42.53 75.71 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 124.327 0.965 . . . . 0.0 112.696 174.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 54.8 m170 -69.33 -32.9 72.31 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.429 -1.042 . . . . 0.0 112.155 175.548 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 63.1 tp -66.42 -39.11 88.77 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.419 -0.801 . . . . 0.0 112.425 171.326 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.8 tttt -58.36 -47.36 84.03 Favored 'General case' 0 N--CA 1.464 0.267 0 O-C-N 121.367 -0.833 . . . . 0.0 110.213 171.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.6 t -60.79 -41.34 88.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-N 118.676 0.671 . . . . 0.0 111.903 176.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -55.63 -45.68 77.55 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.648 0.658 . . . . 0.0 112.108 174.035 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.5 mt -71.7 -40.27 70.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 O-C-N 120.698 -1.251 . . . . 0.0 111.488 178.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -68.0 -14.2 62.78 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.448 1.499 . . . . 0.0 113.814 179.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.5 ptt180 -111.97 -40.79 4.14 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 177.289 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.1 t -91.03 -47.34 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-N 118.3 0.5 . . . . 0.0 111.406 -174.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -102.42 17.71 22.89 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.124 1.37 . . . . 0.0 113.998 -174.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? -71.36 140.67 50.28 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.512 1.525 . . . . 0.0 110.828 173.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 47.7 tttm 52.0 48.06 23.52 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.54 1.936 . . . . 0.0 113.352 -173.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 18.2 tt -72.24 149.92 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.688 1.195 . . . . 0.0 111.562 174.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -69.2 134.99 49.94 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.749 0.82 . . . . 0.0 111.181 174.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -109.14 167.05 10.38 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.538 1.935 . . . . 0.0 110.539 178.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 -131.86 151.43 51.69 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 174.334 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 53.7 t -71.99 132.06 43.78 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.81 1.644 . . . . 0.0 112.506 176.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.7 -2.58 47.39 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 177.228 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -110.04 -35.3 6.16 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.484 1.113 . . . . 0.0 113.442 -179.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.2 p -130.56 2.04 4.53 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 115.454 1.649 . . . . 0.0 115.454 -178.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt 55.73 23.14 6.01 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 126.163 1.785 . . . . 0.0 115.023 178.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -69.83 141.64 53.23 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.581 1.552 . . . . 0.0 111.002 169.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.81 142.75 27.4 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.321 1.048 . . . . 0.0 111.765 177.336 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -134.13 124.05 25.44 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.193 1.797 . . . . 0.0 111.327 -179.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.9 m -83.84 -6.11 59.35 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 -177.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -133.52 122.06 23.06 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 126.446 1.898 . . . . 0.0 108.73 172.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.9 p -62.18 -36.38 74.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 O-C-N 121.88 -0.513 . . . . 0.0 111.669 -177.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -59.36 -33.81 71.62 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 121.333 -0.855 . . . . 0.0 112.39 176.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -77.95 -26.88 49.12 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 174.281 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.1 tp -63.27 -42.7 99.14 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 119.368 0.986 . . . . 0.0 110.703 168.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.4 mm -61.69 -47.88 91.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 O-C-N 121.816 -0.552 . . . . 0.0 110.322 175.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -57.93 -40.05 79.51 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.486 1.114 . . . . 0.0 112.31 177.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -62.96 -44.31 96.4 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.796 1.238 . . . . 0.0 112.619 172.328 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 64.0 mt -63.88 -43.36 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 CA-C-N 119.264 0.938 . . . . 0.0 110.839 175.388 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 77.0 mtp85 -64.17 -22.73 67.05 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.984 1.314 . . . . 0.0 114.44 176.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -91.15 -57.31 2.84 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.182 0.993 . . . . 0.0 113.159 174.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -90.58 -26.96 19.42 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 -164.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -130.62 27.56 4.97 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.77 1.628 . . . . 0.0 112.707 -171.145 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -53.12 132.12 50.7 Favored Pre-proline 0 CA--C 1.551 1.019 0 C-N-CA 125.372 1.469 . . . . 0.0 114.811 -169.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.15 143.76 25.9 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 123.402 2.735 . . . . 0.0 111.676 176.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -139.03 127.75 23.34 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.654 1.182 . . . . 0.0 110.509 177.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 . . . . . 0 C--O 1.252 1.214 0 C-N-CA 126.426 1.89 . . . . 0.0 113.341 179.409 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.62 0 N-CA-C 111.863 -0.495 . . . . 0.0 111.863 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 t -148.25 156.94 43.16 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.065 1.346 . . . . 0.0 111.769 178.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.9 t -151.69 161.78 42.09 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.655 1.582 . . . . 0.0 111.655 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.62 174.5 45.11 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.752 1.168 . . . . 0.0 113.808 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t -76.44 161.21 28.85 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.566 1.146 . . . . 0.0 112.864 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.5 p -143.41 163.06 34.13 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.976 1.71 . . . . 0.0 112.738 -178.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.98 -162.21 27.5 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 124.664 1.126 . . . . 0.0 113.051 -178.052 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.5 mttt 48.56 62.67 11.7 Favored Pre-proline 0 N--CA 1.479 1.025 0 C-N-CA 125.985 1.714 . . . . 0.0 112.799 179.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -63.32 -28.39 72.04 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 124.162 3.242 . . . . 0.0 115.343 -173.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -83.17 95.92 8.26 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.19 0.596 . . . . 0.0 111.139 -176.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -91.11 148.76 22.15 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.942 1.697 . . . . 0.0 111.86 -179.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.2 t -75.77 134.48 72.11 Favored Pre-proline 0 CA--C 1.548 0.891 0 C-N-CA 124.313 1.045 . . . . 0.0 110.286 170.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -77.75 -6.82 16.33 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 123.816 3.011 . . . . 0.0 112.319 173.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -113.82 -29.09 7.19 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.837 1.255 . . . . 0.0 113.237 -170.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.6 p -144.56 -174.97 4.47 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 123.931 0.893 . . . . 0.0 113.294 176.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.9 m -73.26 0.28 12.37 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.237 1.415 . . . . 0.0 114.687 -177.067 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -62.07 147.04 48.62 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.102 1.361 . . . . 0.0 113.968 -178.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.21 153.31 37.43 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.826 1.25 . . . . 0.0 112.042 169.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.3 t -145.3 166.81 24.47 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.846 1.258 . . . . 0.0 112.478 172.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.24 -1.72 57.73 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.167 1.387 . . . . 0.0 114.477 176.157 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 56.8 mt -134.17 135.1 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 125.129 1.372 . . . . 0.0 110.303 -170.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -63.62 -39.46 94.41 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.028 0.931 . . . . 0.0 112.761 177.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.14 -36.02 76.58 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.638 0.775 . . . . 0.0 113.028 173.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -70.96 -26.71 63.29 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.497 -0.752 . . . . 0.0 112.332 175.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.3 tp -75.23 -44.43 46.17 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.135 0.88 . . . . 0.0 111.272 169.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -54.64 -46.11 73.88 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.103 0.865 . . . . 0.0 111.61 176.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.71 -34.98 67.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 123.339 0.655 . . . . 0.0 112.244 -176.6 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -66.2 -41.45 90.16 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.634 1.174 . . . . 0.0 112.748 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.0 mt -60.31 -22.98 63.82 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.975 0.91 . . . . 0.0 112.85 -178.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -56.85 -33.09 66.45 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.933 1.293 . . . . 0.0 112.889 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -72.97 -21.42 60.86 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -179.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -85.39 1.52 48.25 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.501 1.52 . . . . 0.0 113.609 178.048 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 44.3 p -80.31 166.14 21.62 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.369 1.067 . . . . 0.0 112.385 175.051 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.9 -145.04 23.25 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 123.979 0.8 . . . . 0.0 113.958 179.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -55.6 132.15 48.08 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.792 1.637 . . . . 0.0 115.137 -170.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -134.78 119.76 18.58 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 127.489 2.316 . . . . 0.0 111.097 174.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -95.81 107.82 20.1 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 126.334 1.854 . . . . 0.0 109.311 174.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -93.86 144.95 24.98 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.716 1.207 . . . . 0.0 112.823 -176.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.9 t -69.32 140.23 54.32 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 122.147 0.975 . . . . 0.0 111.685 172.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -83.75 -4.56 58.73 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.865 0.866 . . . . 0.0 111.876 173.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -120.25 -26.66 5.42 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.89 1.276 . . . . 0.0 113.447 -170.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.7 p -139.94 -175.51 4.25 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.227 1.011 . . . . 0.0 113.028 170.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.2 p -75.1 3.94 7.68 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.471 1.509 . . . . 0.0 114.34 176.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -59.58 144.88 46.35 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.426 1.09 . . . . 0.0 113.167 179.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.8 p -143.22 151.95 41.18 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 125.81 1.644 . . . . 0.0 111.588 171.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.1 t -147.99 156.61 42.84 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.974 0.91 . . . . 0.0 112.257 175.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 47.1 mt -78.92 -3.09 43.11 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 124.476 1.111 . . . . 0.0 112.858 172.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.0 t -123.23 125.65 45.49 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.772 1.629 . . . . 0.0 112.444 178.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.9 pttp -63.7 -34.39 77.76 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.404 1.482 . . . . 0.0 112.318 170.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -67.55 -40.54 90.83 Favored Glycine 0 CA--C 1.53 1.025 0 C-N-CA 123.836 0.731 . . . . 0.0 112.268 176.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -71.16 -34.6 71.12 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.444 -1.033 . . . . 0.0 112.371 174.34 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.9 tp -58.53 -43.58 89.25 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.296 0.953 . . . . 0.0 111.68 170.043 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -59.17 -50.86 72.41 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.852 -0.53 . . . . 0.0 110.616 175.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.0 t -60.5 -38.85 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-N 118.283 0.492 . . . . 0.0 111.99 178.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -58.12 -45.55 87.1 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.963 0.905 . . . . 0.0 112.194 175.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 80.2 mt -71.53 -39.26 70.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 O-C-N 120.745 -1.222 . . . . 0.0 110.999 177.164 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -68.37 -14.07 62.73 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.89 1.276 . . . . 0.0 113.782 179.073 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.1 ptt180 -110.75 -41.77 4.2 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.799 1.24 . . . . 0.0 114.011 177.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.4 t -91.38 -47.69 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-N 118.362 0.528 . . . . 0.0 111.386 -173.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -106.57 17.58 23.1 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.926 1.291 . . . . 0.0 114.082 -172.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -60.74 117.24 5.13 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.845 1.658 . . . . 0.0 111.115 -178.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 41.1 tttp 48.13 48.07 18.71 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.98 2.112 . . . . 0.0 113.417 -177.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 20.1 tt -64.33 139.18 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.412 1.085 . . . . 0.0 111.229 178.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -69.23 -44.27 72.37 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.34 1.056 . . . . 0.0 113.837 -169.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 60.53 155.19 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 116.719 2.118 . . . . 0.0 116.719 176.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 -139.92 151.93 45.98 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.145 0.978 . . . . 0.0 111.971 168.378 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.9 t -66.77 129.68 40.67 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.381 1.873 . . . . 0.0 112.206 -178.083 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -20.49 61.74 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 174.582 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -87.47 -43.31 12.15 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -177.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.4 p -125.77 4.26 7.42 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 -174.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . 0.253 13.2 mptt 61.53 15.36 6.67 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 126.961 2.104 . . . . 0.0 114.943 174.478 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -73.84 125.08 27.36 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.937 1.695 . . . . 0.0 111.893 173.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 49.5 tttm -74.16 141.67 45.53 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 126.803 2.041 . . . . 0.0 110.536 173.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -121.3 -1.85 9.64 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 116.972 2.212 . . . . 0.0 116.972 -172.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 44.5 m 58.38 -7.61 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 127.269 2.228 . . . . 0.0 116.361 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -154.92 132.62 11.37 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 128.587 2.755 . . . . 0.0 107.351 168.357 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 11.4 p -52.82 -36.75 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 O-C-N 121.627 -0.671 . . . . 0.0 111.569 169.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -60.59 -32.96 72.05 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.353 0.979 . . . . 0.0 112.672 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 56.7 m-20 -73.37 -37.36 66.06 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 118.225 0.466 . . . . 0.0 111.85 173.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 63.7 tp -61.94 -38.58 88.98 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.6 0.76 . . . . 0.0 112.114 178.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 19.9 mm -58.88 -47.78 88.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 CA-C-N 118.48 0.582 . . . . 0.0 110.245 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 25.4 ttmm -62.96 -40.52 97.93 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.677 0.791 . . . . 0.0 112.108 177.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -58.4 -45.98 87.31 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 118.674 0.67 . . . . 0.0 112.51 171.325 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 58.3 mt -61.25 -46.56 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-N 118.812 0.733 . . . . 0.0 110.537 175.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 70.0 mtt-85 -64.69 -26.69 68.48 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 178.32 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -93.64 -38.26 11.43 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -105.5 -24.79 12.54 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.876 1.27 . . . . 0.0 114.363 -173.095 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -130.82 26.86 4.96 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 125.937 1.695 . . . . 0.0 112.433 -175.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -25.14 107.59 0.18 Allowed Pre-proline 0 CA--C 1.553 1.093 0 C-N-CA 128.588 2.755 . . . . 0.0 116.962 -168.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -62.89 159.52 37.6 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 124.515 3.477 . . . . 0.0 114.067 173.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -81.08 -3.27 51.36 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.283 1.433 . . . . 0.0 113.734 176.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 32.5 t70 . . . . . 0 C--O 1.253 1.258 0 C-N-CA 126.823 2.049 . . . . 0.0 112.778 -177.921 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.546 0 N-CA-C 112.028 -0.429 . . . . 0.0 112.028 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.9 m -67.47 148.42 51.55 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.502 1.121 . . . . 0.0 113.028 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.6 m -69.09 145.25 53.57 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.416 1.086 . . . . 0.0 113.027 -179.071 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.89 153.4 10.05 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.787 1.184 . . . . 0.0 113.165 176.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 t -157.13 162.04 39.39 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.184 1.393 . . . . 0.0 111.676 178.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.9 p -153.29 167.66 28.62 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.582 1.553 . . . . 0.0 112.364 -178.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.18 -96.14 1.33 Allowed Glycine 0 CA--C 1.532 1.128 0 C-N-CA 124.166 0.889 . . . . 0.0 113.953 174.097 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.6 mttp 47.95 62.01 12.78 Favored Pre-proline 0 N--CA 1.477 0.924 0 C-N-CA 125.81 1.644 . . . . 0.0 112.542 -169.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.91 -30.89 92.85 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 125.029 3.819 . . . . 0.0 115.509 -173.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -84.03 100.98 11.43 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 124.229 1.011 . . . . 0.0 109.464 -178.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -116.6 144.75 44.0 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.211 1.404 . . . . 0.0 111.937 -167.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.9 t -75.96 132.22 74.61 Favored Pre-proline 0 CA--C 1.547 0.865 0 C-N-CA 123.689 0.796 . . . . 0.0 110.351 -177.029 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -76.79 -6.23 16.66 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 123.786 2.991 . . . . 0.0 112.175 172.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -115.57 -28.12 6.9 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.831 1.253 . . . . 0.0 113.25 -170.187 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.8 p -143.88 -172.68 3.8 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.701 0.801 . . . . 0.0 113.144 174.354 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.9 p -75.43 -0.54 20.38 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.373 1.469 . . . . 0.0 114.548 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -61.41 146.38 48.51 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.962 1.305 . . . . 0.0 114.081 -179.244 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.89 157.21 42.95 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.9 1.28 . . . . 0.0 112.334 172.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.5 t -146.34 158.19 43.86 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.8 1.64 . . . . 0.0 112.285 174.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.49 -2.39 53.23 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.689 1.196 . . . . 0.0 113.868 168.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 52.7 mt -127.67 132.83 68.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.897 1.279 . . . . 0.0 110.707 -173.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.0 tttm -58.14 -47.55 82.97 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.945 1.298 . . . . 0.0 112.922 178.182 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.21 -31.77 72.34 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 178.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -74.43 -16.89 60.86 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.542 0.737 . . . . 0.0 112.983 176.136 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 67.1 tp -83.14 -39.42 21.09 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.265 -0.897 . . . . 0.0 111.094 166.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -66.93 -38.2 85.74 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 120.991 -1.068 . . . . 0.0 112.231 -178.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.8 p -65.5 -30.53 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 123.718 0.807 . . . . 0.0 112.649 173.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -76.88 -37.97 54.51 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.94 0.896 . . . . 0.0 112.619 -172.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.9 mt -61.43 -20.71 63.41 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.574 0.75 . . . . 0.0 112.633 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.3 -23.45 64.19 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.732 1.613 . . . . 0.0 113.683 176.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.4 mttm -73.96 -36.27 64.58 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.381 1.472 . . . . 0.0 112.175 176.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -81.42 -0.22 40.51 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -174.04 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 58.4 p -75.46 169.77 17.43 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.586 1.154 . . . . 0.0 113.651 -177.234 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.94 -172.12 55.22 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.42 1.01 . . . . 0.0 113.291 -176.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -80.97 92.18 6.14 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 122.192 0.996 . . . . 0.0 111.649 179.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -111.22 118.1 35.0 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.348 1.459 . . . . 0.0 111.428 176.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -99.06 106.02 18.21 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.013 2.125 . . . . 0.0 108.476 -177.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.04 145.67 24.49 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.629 1.171 . . . . 0.0 113.845 -174.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.0 t -67.66 141.9 56.56 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 122.155 0.978 . . . . 0.0 112.091 171.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -85.14 -6.41 59.29 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.95 0.9 . . . . 0.0 111.873 173.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -117.95 -27.02 6.27 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.05 1.34 . . . . 0.0 113.319 -172.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.0 p -140.26 -176.67 4.7 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.838 0.855 . . . . 0.0 113.136 171.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.7 m -74.69 5.03 5.3 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.158 1.383 . . . . 0.0 114.013 177.237 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -62.44 148.07 46.69 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.591 1.156 . . . . 0.0 113.198 -178.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.7 p -142.74 149.43 38.74 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 125.436 1.495 . . . . 0.0 111.912 172.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 5.0 t -141.54 168.8 18.9 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.418 1.087 . . . . 0.0 112.004 174.664 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -91.95 7.59 41.42 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.962 1.305 . . . . 0.0 114.305 179.464 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 34.9 t -146.07 137.82 24.98 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.935 1.294 . . . . 0.0 112.39 175.028 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -58.49 -32.82 69.15 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.615 1.566 . . . . 0.0 112.837 168.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.17 -42.78 74.69 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 123.511 0.576 . . . . 0.0 112.367 176.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 55.4 m170 -69.47 -34.57 74.57 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 121.616 -0.932 . . . . 0.0 112.161 173.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.0 tp -61.5 -43.32 99.07 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.342 0.657 . . . . 0.0 111.992 170.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.3 tttp -58.23 -50.28 74.11 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 118.423 -0.799 . . . . 0.0 109.951 173.276 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.8 t -58.15 -41.17 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 119.116 0.871 . . . . 0.0 112.129 178.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -57.2 -47.29 81.65 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.386 0.674 . . . . 0.0 112.477 174.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 93.6 mt -70.3 -39.56 76.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 O-C-N 120.907 -1.12 . . . . 0.0 111.129 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -67.88 -13.73 62.39 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.125 1.77 . . . . 0.0 113.768 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -114.09 -39.48 3.91 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.693 1.197 . . . . 0.0 114.039 178.2 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 38.3 t -91.32 -46.65 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 122.826 0.45 . . . . 0.0 111.26 -175.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -108.38 18.34 21.11 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 -171.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.5 119.48 13.82 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.14 1.376 . . . . 0.0 110.557 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.7 tptt 49.58 46.65 23.47 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 126.492 1.917 . . . . 0.0 113.305 -173.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 16.1 tt -75.33 156.62 6.05 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 125.145 1.378 . . . . 0.0 111.798 176.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -79.03 151.86 31.25 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.932 1.293 . . . . 0.0 111.762 172.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -127.72 162.66 26.07 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 127.046 2.138 . . . . 0.0 109.541 174.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 27.3 p-80 -140.23 151.77 45.43 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 168.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.1 t -73.64 130.19 39.52 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.889 1.675 . . . . 0.0 112.539 179.002 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.34 -5.87 53.46 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 178.118 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -101.62 -39.07 7.65 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.481 1.112 . . . . 0.0 113.255 177.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.6 p -130.28 3.8 4.74 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 115.651 1.722 . . . . 0.0 115.651 -173.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt 59.31 13.74 3.29 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 126.595 1.958 . . . . 0.0 115.131 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -65.58 135.9 55.67 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.968 1.307 . . . . 0.0 110.646 174.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -87.83 142.92 27.43 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.82 0.848 . . . . 0.0 112.69 178.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -134.69 126.63 29.45 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.876 1.67 . . . . 0.0 110.9 -175.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 48.6 m -83.71 -9.61 58.73 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -177.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -137.58 128.1 26.65 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 125.648 1.579 . . . . 0.0 109.637 173.255 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.7 p -63.4 -35.6 72.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 N-CA-C 112.397 0.518 . . . . 0.0 112.397 -175.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -57.32 -38.43 74.04 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 119.197 0.908 . . . . 0.0 112.499 178.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -76.52 -25.07 53.79 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.47 0.708 . . . . 0.0 112.399 176.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.4 tp -66.3 -43.22 86.9 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 119.166 0.893 . . . . 0.0 111.324 169.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 15.7 mm -60.12 -46.86 93.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-N 118.44 0.564 . . . . 0.0 110.257 176.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.0 tppt? -58.35 -46.45 86.25 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.296 1.439 . . . . 0.0 111.433 175.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 55.7 t60 -59.11 -43.63 91.91 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.358 0.663 . . . . 0.0 112.304 174.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 58.2 mt -59.41 -52.54 59.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-O 118.744 -0.645 . . . . 0.0 110.164 174.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -60.73 -33.38 72.83 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 179.349 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -86.76 -37.46 17.84 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -177.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -102.94 -30.8 10.58 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -172.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -119.75 -53.27 2.2 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 115.925 1.824 . . . . 0.0 115.925 -169.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 38.4 t70 46.23 113.18 0.0 OUTLIER Pre-proline 0 CA--C 1.556 1.209 1 C-N-CA 133.366 4.667 . . . . 0.0 115.738 -175.319 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -71.45 172.56 13.96 Favored 'Trans proline' 0 CA--C 1.543 0.96 0 C-N-CA 124.366 3.377 . . . . 0.0 113.829 -176.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 59.26 35.82 23.5 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.828 1.651 . . . . 0.0 113.728 -178.087 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 . . . . . 0 C--O 1.254 1.291 0 C-N-CA 126.088 1.755 . . . . 0.0 114.172 175.192 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.9 mttt . . . . . 0 N--CA 1.48 1.066 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -62.78 -32.73 77.8 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 124.351 3.367 . . . . 0.0 115.365 -177.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -82.24 103.05 11.55 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.579 0.752 . . . . 0.0 110.335 -175.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -115.68 146.62 41.69 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.692 1.597 . . . . 0.0 112.666 -169.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.5 t -77.07 136.03 66.29 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 124.137 0.975 . . . . 0.0 110.987 -178.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -77.05 -10.59 17.97 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 123.848 3.032 . . . . 0.0 112.375 174.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -112.63 -27.36 8.22 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 -173.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.7 p -143.49 -177.74 5.54 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.8 m -71.94 1.14 7.64 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.32 1.448 . . . . 0.0 114.414 -177.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -61.9 143.35 56.55 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.962 1.305 . . . . 0.0 113.871 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.83 152.14 35.99 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.092 1.357 . . . . 0.0 112.025 172.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.7 t -147.46 166.42 27.29 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.019 1.328 . . . . 0.0 112.333 173.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.2 0.51 56.69 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.069 1.347 . . . . 0.0 114.058 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 61.9 mt -132.1 134.48 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.365 1.466 . . . . 0.0 110.201 -172.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -62.74 -41.23 99.09 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.997 0.919 . . . . 0.0 112.924 178.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.32 -34.47 73.84 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.995 0.918 . . . . 0.0 113.07 175.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -68.9 -38.44 79.6 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.583 -0.698 . . . . 0.0 111.561 175.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.2 tp -65.32 -45.03 85.93 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.176 -0.952 . . . . 0.0 111.623 170.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -55.16 -47.52 75.04 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.204 0.911 . . . . 0.0 111.535 176.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.84 -35.1 71.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 123.186 0.594 . . . . 0.0 112.241 -176.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -66.14 -40.6 90.74 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.169 0.988 . . . . 0.0 112.743 177.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.5 mt -62.62 -24.77 67.76 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.019 0.928 . . . . 0.0 112.668 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 . . . . . 0 N--CA 1.482 1.126 0 C-N-CA 125.023 1.329 . . . . 0.0 114.325 176.696 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.552 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.2 t -67.23 142.63 56.87 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 122.115 0.96 . . . . 0.0 111.792 170.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -81.53 -5.59 58.14 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.891 0.876 . . . . 0.0 112.068 175.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -122.66 -26.94 4.43 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.359 1.063 . . . . 0.0 113.808 -170.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.2 p -138.73 -178.34 5.27 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.045 0.938 . . . . 0.0 113.273 172.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.0 m -73.43 4.56 4.61 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.297 1.439 . . . . 0.0 114.068 176.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -61.1 146.41 47.5 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 123.966 0.906 . . . . 0.0 112.784 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.3 p -139.78 152.04 46.26 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 125.06 1.344 . . . . 0.0 112.193 171.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 9.1 t -143.21 151.01 40.12 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.314 1.045 . . . . 0.0 112.165 -177.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.5 mt -87.44 -3.9 59.01 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.684 1.194 . . . . 0.0 113.254 170.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.0 m -131.44 111.4 11.77 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.897 1.679 . . . . 0.0 110.884 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.402 ' HG2' ' H ' ' A' ' 49' ' ' LYS . 21.6 pttt -60.81 -31.36 70.76 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.996 1.318 . . . . 0.0 113.971 -178.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.16 -34.84 81.99 Favored Glycine 0 CA--C 1.538 1.513 0 O-C-N 121.871 -0.518 . . . . 0.0 113.406 174.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -72.77 -35.52 67.45 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.286 -1.126 . . . . 0.0 111.765 172.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.68 -39.42 91.36 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.381 0.672 . . . . 0.0 112.211 171.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -59.07 -49.17 78.92 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.356 -0.84 . . . . 0.0 111.135 171.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.3 t -60.8 -39.64 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 CA-C-N 118.661 0.664 . . . . 0.0 111.85 177.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -57.2 -46.46 82.87 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.845 0.858 . . . . 0.0 111.718 175.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 93.7 mt -70.7 -42.63 77.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 O-C-N 121.023 -1.048 . . . . 0.0 111.233 177.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -63.95 -21.12 66.34 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.08 1.352 . . . . 0.0 113.859 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.7 ptm85 -105.89 -41.59 5.37 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.7 t -90.54 -42.85 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 CA-C-N 118.219 0.463 . . . . 0.0 111.557 -173.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -113.69 15.08 18.88 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -169.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? . . . . . 0 N--CA 1.471 0.581 0 C-N-CA 125.891 1.677 . . . . 0.0 109.738 173.831 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 . . . . . 0 N--CA 1.471 0.608 0 N-CA-C 110.805 -0.072 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 38.7 p-80 -133.07 148.23 52.19 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.582 0.753 . . . . 0.0 112.528 169.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 52.7 t -69.64 135.19 49.6 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.15 1.38 . . . . 0.0 112.457 178.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.83 -0.74 44.77 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 178.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -113.52 -35.68 5.17 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.473 1.109 . . . . 0.0 113.503 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.9 p -129.59 2.33 5.0 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 -176.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm 56.38 15.85 2.16 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 126.739 2.015 . . . . 0.0 115.549 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -63.3 137.89 58.34 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.931 1.292 . . . . 0.0 110.671 172.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -84.46 142.79 29.83 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.146 0.978 . . . . 0.0 112.058 177.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -131.45 144.23 51.01 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.19 1.796 . . . . 0.0 112.477 -176.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 44.1 p -81.27 -16.81 51.47 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.311 1.844 . . . . 0.0 114.671 -174.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -152.18 145.72 24.91 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 126.346 1.858 . . . . 0.0 108.362 176.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.9 p -57.87 -37.2 59.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 O-C-N 121.62 -0.675 . . . . 0.0 111.305 170.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -62.62 -32.5 73.53 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.8 1.182 . . . . 0.0 112.717 178.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -73.59 -35.51 65.43 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.305 0.642 . . . . 0.0 111.741 174.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.7 tp -62.45 -39.17 92.52 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.691 0.796 . . . . 0.0 112.457 174.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 16.2 mm -61.4 -46.31 96.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 O-C-N 121.641 -0.662 . . . . 0.0 110.747 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -59.24 -40.99 87.65 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.366 0.666 . . . . 0.0 111.847 177.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -60.97 -45.48 94.6 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.679 0.792 . . . . 0.0 113.05 171.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 66.5 mt -62.91 -43.45 98.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 O-C-N 121.33 -0.856 . . . . 0.0 110.792 176.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 76.6 mtp85 -63.04 -23.18 67.33 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 175.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -97.13 -44.27 7.03 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.541 1.137 . . . . 0.0 113.516 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -103.47 -25.57 13.19 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.9 1.28 . . . . 0.0 114.239 -171.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 57.0 m-70 . . . . . 0 CA--C 1.547 0.834 0 C-N-CA 125.374 1.47 . . . . 0.0 112.719 -173.375 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.2 mttp . . . . . 0 N--CA 1.478 0.975 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.37 -28.8 71.82 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 123.827 3.018 . . . . 0.0 115.373 -175.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -83.83 99.75 10.52 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.145 0.578 . . . . 0.0 111.245 -176.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -94.45 149.59 21.09 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.83 1.652 . . . . 0.0 112.265 -178.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.7 t -78.0 136.75 61.79 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 124.628 1.171 . . . . 0.0 110.664 171.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -78.61 -10.84 15.75 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 123.991 3.127 . . . . 0.0 112.277 173.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -108.03 -28.84 9.32 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.401 1.08 . . . . 0.0 113.497 -173.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.8 p -145.13 -176.0 4.92 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 178.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.3 m -72.36 0.14 10.87 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.312 1.445 . . . . 0.0 114.477 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -61.33 145.32 51.87 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.736 1.215 . . . . 0.0 113.794 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.18 152.57 36.28 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.801 1.24 . . . . 0.0 111.796 169.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.8 t -144.33 168.23 20.59 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.745 1.218 . . . . 0.0 112.584 173.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.95 -1.45 58.0 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.273 1.429 . . . . 0.0 114.375 177.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 56.7 mt -135.19 135.43 52.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 125.285 1.434 . . . . 0.0 110.047 -170.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -63.13 -39.54 94.99 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 123.987 0.915 . . . . 0.0 112.692 177.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.99 -36.1 76.44 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.786 0.834 . . . . 0.0 113.014 173.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -71.41 -25.22 62.24 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.568 -0.707 . . . . 0.0 112.46 175.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.5 tp -76.65 -44.7 32.88 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.35 -0.844 . . . . 0.0 111.064 168.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -54.25 -48.25 71.37 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 119.083 0.856 . . . . 0.0 111.461 176.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.08 -33.77 65.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 123.669 0.787 . . . . 0.0 112.295 -176.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -69.04 -38.65 79.24 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.681 1.193 . . . . 0.0 112.772 178.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.9 mt -65.88 -24.38 66.85 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.596 0.758 . . . . 0.0 112.587 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.5 mtp-105 . . . . . 0 N--CA 1.476 0.866 0 C-N-CA 123.938 0.895 . . . . 0.0 112.145 173.452 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.546 0 N-CA-C 114.557 1.318 . . . . 0.0 114.557 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.5 t -67.95 143.9 55.43 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 122.192 0.996 . . . . 0.0 112.133 171.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -85.61 -7.75 58.65 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.01 0.924 . . . . 0.0 111.925 173.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -117.57 -27.19 6.38 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.042 1.337 . . . . 0.0 113.381 -172.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.4 p -138.51 -176.6 4.52 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 172.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.1 p -75.93 4.44 8.2 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.487 1.515 . . . . 0.0 114.139 176.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -60.34 146.05 45.52 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.563 1.145 . . . . 0.0 113.015 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 52.0 p -142.13 153.05 43.8 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 125.355 1.462 . . . . 0.0 112.032 170.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 5.4 t -142.13 170.64 15.33 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.542 1.137 . . . . 0.0 112.121 178.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -93.39 5.79 50.37 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.064 1.746 . . . . 0.0 113.796 178.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.2 t -145.22 137.86 26.09 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.71 1.204 . . . . 0.0 112.469 173.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.1 pttt -59.24 -32.86 70.36 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.703 1.601 . . . . 0.0 112.516 169.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.17 -41.31 70.06 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 123.748 0.689 . . . . 0.0 112.354 176.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 62.2 m170 -69.96 -34.05 72.9 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.464 -1.021 . . . . 0.0 112.163 173.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.32 -43.53 98.72 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.589 0.756 . . . . 0.0 111.994 170.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -57.95 -49.62 76.17 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.519 -0.738 . . . . 0.0 110.776 172.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 76.4 t -59.14 -39.47 78.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 118.7 0.682 . . . . 0.0 111.932 177.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -57.62 -47.16 82.95 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.526 0.603 . . . . 0.0 111.911 175.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 82.4 mt -70.23 -39.53 76.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 O-C-N 120.913 -1.117 . . . . 0.0 111.091 178.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -69.3 -11.41 60.78 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.401 1.48 . . . . 0.0 114.25 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -114.34 -41.04 3.53 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 175.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 40.5 t -90.19 -47.71 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 122.957 0.503 . . . . 0.0 111.33 -173.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -103.34 22.6 13.88 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.431 1.492 . . . . 0.0 113.247 -177.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? . . . . . 0 CA--C 1.539 0.53 0 C-N-CA 125.994 1.718 . . . . 0.0 111.13 173.931 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 . . . . . 0 N--CA 1.472 0.67 0 N-CA-C 110.637 -0.135 . . . . 0.0 110.637 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -138.14 152.52 48.78 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.198 -0.938 . . . . 0.0 113.069 168.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 53.1 t -73.7 132.42 42.67 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.976 1.711 . . . . 0.0 112.652 -179.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.76 -4.1 50.48 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 177.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -107.81 -34.71 6.87 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.271 1.029 . . . . 0.0 113.419 -178.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.8 p -131.12 3.92 4.38 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 -177.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt 59.41 11.55 2.29 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 126.617 1.967 . . . . 0.0 115.302 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -64.55 135.73 56.3 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.901 1.28 . . . . 0.0 111.047 175.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -82.65 141.08 32.77 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.284 1.034 . . . . 0.0 111.544 176.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -127.86 140.52 51.97 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.749 1.62 . . . . 0.0 111.946 -176.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 39.5 p -73.2 -22.64 60.41 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.478 1.511 . . . . 0.0 114.262 -174.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -149.31 148.09 29.12 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.037 1.735 . . . . 0.0 109.495 178.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.7 p -58.36 -38.89 72.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 CA-C-O 118.683 -0.675 . . . . 0.0 111.852 172.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -64.89 -33.07 75.13 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.881 1.219 . . . . 0.0 112.33 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -71.02 -36.15 72.29 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 122.973 0.509 . . . . 0.0 111.552 173.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.86 -39.8 95.54 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.606 0.763 . . . . 0.0 112.505 175.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 15.2 mm -60.49 -45.3 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 118.633 0.651 . . . . 0.0 110.594 178.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -63.45 -39.15 93.72 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.174 0.59 . . . . 0.0 112.031 178.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -60.24 -45.66 92.49 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 118.759 0.708 . . . . 0.0 112.681 170.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 59.9 mt -60.62 -44.67 97.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 O-C-N 121.57 -0.706 . . . . 0.0 110.416 175.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 43.0 mtt-85 -67.44 -18.81 65.23 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 115.502 1.668 . . . . 0.0 115.502 176.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -97.65 -38.92 9.33 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.138 0.975 . . . . 0.0 113.313 178.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.11 -26.66 11.02 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.925 1.29 . . . . 0.0 114.384 -173.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 42.2 m-70 . . . . . 0 CA--C 1.549 0.91 0 C-N-CA 125.683 1.593 . . . . 0.0 112.507 -171.546 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt . . . . . 0 N--CA 1.481 1.113 0 N-CA-C 113.194 0.812 . . . . 0.0 113.194 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -65.51 -27.57 54.0 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 124.211 3.274 . . . . 0.0 115.42 -173.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -82.73 94.66 7.65 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.025 0.53 . . . . 0.0 111.112 -176.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -90.73 148.47 22.56 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.28 1.832 . . . . 0.0 111.943 -178.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.2 t -77.82 134.28 64.99 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 124.357 1.063 . . . . 0.0 110.145 171.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -78.51 -7.11 15.77 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 123.965 3.11 . . . . 0.0 112.324 171.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -113.08 -26.32 8.52 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.859 1.263 . . . . 0.0 113.295 -170.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.4 p -146.34 -173.8 4.28 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.289 1.036 . . . . 0.0 113.327 172.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.8 m -74.11 0.84 12.6 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.249 1.42 . . . . 0.0 114.713 -177.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -61.89 146.75 48.87 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.287 1.435 . . . . 0.0 113.972 -178.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.17 151.91 35.15 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.866 1.266 . . . . 0.0 112.035 169.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.2 t -143.78 166.31 25.24 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.643 1.177 . . . . 0.0 112.443 173.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.2 -1.04 57.61 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.084 1.354 . . . . 0.0 114.281 177.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 54.9 mt -133.58 134.86 56.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 125.386 1.474 . . . . 0.0 109.939 -171.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -63.27 -39.72 95.39 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.717 0.807 . . . . 0.0 112.836 178.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.18 -35.76 76.08 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.874 0.869 . . . . 0.0 113.073 174.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -71.1 -25.15 62.47 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.506 -0.746 . . . . 0.0 112.452 175.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.1 tp -76.84 -45.38 28.66 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.069 0.85 . . . . 0.0 111.019 168.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -53.67 -47.18 70.65 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.205 0.912 . . . . 0.0 111.59 176.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.3 -34.07 66.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 123.553 0.741 . . . . 0.0 112.266 -177.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -69.05 -38.05 78.89 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.614 1.166 . . . . 0.0 112.778 178.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 62.0 mt -64.75 -23.45 67.25 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.606 0.763 . . . . 0.0 112.707 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 . . . . . 0 N--CA 1.475 0.818 0 C-N-CA 124.103 0.961 . . . . 0.0 112.272 174.143 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.61 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.8 t -67.61 142.85 56.31 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 122.203 1.001 . . . . 0.0 111.59 171.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -82.12 -5.09 58.17 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.856 0.863 . . . . 0.0 112.113 175.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -122.08 -26.59 4.71 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.513 1.125 . . . . 0.0 113.621 -170.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 29.4 p -140.22 -178.28 5.4 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.33 1.052 . . . . 0.0 113.321 171.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.8 m -73.72 5.14 4.23 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.351 1.46 . . . . 0.0 114.083 177.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -61.22 146.56 47.33 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.008 0.923 . . . . 0.0 112.718 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 80.6 p -138.66 154.9 48.65 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 125.019 1.328 . . . . 0.0 112.11 170.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 17.3 t -147.57 152.56 38.16 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.064 0.946 . . . . 0.0 112.171 -175.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 64.6 mt -86.63 -2.07 58.2 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.006 1.322 . . . . 0.0 113.343 172.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.2 t -133.37 124.53 27.34 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 125.828 1.651 . . . . 0.0 111.608 177.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -60.73 -33.15 72.48 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 125.459 1.504 . . . . 0.0 113.167 172.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -75.31 -35.19 48.94 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 123.756 0.693 . . . . 0.0 112.934 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -71.89 -34.78 69.43 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.286 -1.126 . . . . 0.0 111.849 169.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.0 tp -62.29 -38.73 90.48 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.5 -0.75 . . . . 0.0 112.21 171.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -57.79 -50.28 73.79 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.486 -0.758 . . . . 0.0 110.877 170.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.6 t -59.18 -40.17 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 118.974 0.806 . . . . 0.0 111.897 177.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -56.74 -47.3 80.32 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.547 0.739 . . . . 0.0 111.803 175.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 87.7 mt -71.16 -40.55 74.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 O-C-N 120.766 -1.209 . . . . 0.0 111.29 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -67.41 -11.94 59.02 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.642 1.577 . . . . 0.0 114.069 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -116.22 -41.11 3.18 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 176.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 38.7 t -88.85 -45.62 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-N 118.374 0.534 . . . . 0.0 111.251 -173.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -105.55 17.45 23.83 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.323 1.449 . . . . 0.0 113.599 -175.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? . . . . . 0 N--CA 1.468 0.459 0 C-N-CA 126.002 1.721 . . . . 0.0 111.207 178.983 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 . . . . . 0 CA--C 1.54 0.572 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 42.5 p-80 -134.95 148.39 50.01 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 170.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 44.6 t -70.63 134.92 48.0 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.474 1.509 . . . . 0.0 112.252 175.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.1 -3.19 51.16 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 178.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -108.33 -52.91 2.7 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.419 1.088 . . . . 0.0 112.244 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 23.5 p -111.93 0.2 15.99 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -173.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? 59.04 15.88 4.33 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 126.577 1.951 . . . . 0.0 114.439 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -64.35 138.28 58.35 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.164 1.386 . . . . 0.0 110.493 171.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -88.11 144.81 26.28 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.875 0.87 . . . . 0.0 112.504 176.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -134.14 127.62 32.43 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.868 1.667 . . . . 0.0 111.927 -174.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 49.7 m -79.96 -8.13 59.17 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -178.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -138.96 133.9 32.4 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.424 1.49 . . . . 0.0 109.515 171.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.75 -36.77 73.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 CA-C-O 118.827 -0.606 . . . . 0.0 111.513 174.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -64.47 -34.58 78.54 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.865 1.211 . . . . 0.0 112.079 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -72.23 -32.35 66.64 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 174.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.6 tp -61.92 -41.35 97.83 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 118.303 0.501 . . . . 0.0 111.804 171.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 13.9 mm -61.94 -47.56 92.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 CA-C-N 118.575 0.625 . . . . 0.0 110.459 177.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -59.4 -41.1 88.65 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.403 0.681 . . . . 0.0 111.815 178.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -60.21 -45.99 91.27 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.99 0.916 . . . . 0.0 112.962 171.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 61.8 mt -62.85 -42.83 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-N 119.22 0.918 . . . . 0.0 110.782 176.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 77.9 mtp85 -64.81 -23.22 67.17 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 175.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -97.27 -41.66 8.17 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.641 1.177 . . . . 0.0 113.671 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -104.79 -25.46 12.64 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.977 1.311 . . . . 0.0 114.189 -171.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 . . . . . 0 CA--C 1.547 0.831 0 C-N-CA 125.11 1.364 . . . . 0.0 113.225 -172.863 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 N--CA 1.479 0.992 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -60.99 -32.01 91.93 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 124.382 3.388 . . . . 0.0 115.19 -174.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -82.56 104.74 13.05 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.627 0.771 . . . . 0.0 110.633 -175.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -98.11 149.66 22.27 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.285 1.434 . . . . 0.0 112.124 -176.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.9 t -77.07 133.72 68.7 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 123.595 0.758 . . . . 0.0 109.991 169.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -77.42 -7.81 17.04 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 123.715 2.943 . . . . 0.0 112.318 173.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -116.06 -24.89 7.86 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -171.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.1 p -143.49 -172.65 3.76 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 172.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.5 p -75.87 -0.12 20.18 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.314 1.446 . . . . 0.0 114.68 -178.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -60.28 146.5 43.66 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.893 1.277 . . . . 0.0 114.039 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.99 154.6 39.59 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.857 1.263 . . . . 0.0 111.919 170.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.6 t -146.46 167.31 23.97 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.651 1.18 . . . . 0.0 112.602 173.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.25 -0.87 57.39 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.462 1.505 . . . . 0.0 114.536 176.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 56.0 mt -135.46 135.17 51.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 125.177 1.391 . . . . 0.0 110.206 -171.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -62.65 -40.24 96.41 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.807 0.843 . . . . 0.0 112.561 177.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.01 76.87 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.943 0.897 . . . . 0.0 112.874 175.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -70.53 -25.57 63.18 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.54 -0.725 . . . . 0.0 112.41 174.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.0 tp -76.96 -44.81 29.89 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 118.941 0.791 . . . . 0.0 111.084 169.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -53.86 -45.8 71.07 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.14 0.882 . . . . 0.0 111.499 176.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.2 -34.29 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 C-N-CA 123.572 0.749 . . . . 0.0 112.403 -176.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -67.79 -39.96 83.99 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.804 1.242 . . . . 0.0 112.766 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.0 mt -61.21 -21.52 63.91 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.975 0.91 . . . . 0.0 113.156 -178.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 . . . . . 0 N--CA 1.477 0.901 0 C-N-CA 125.719 1.607 . . . . 0.0 114.118 -178.659 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.403 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.8 t -69.23 140.75 54.54 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 122.11 0.957 . . . . 0.0 111.678 172.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -84.1 -4.02 58.49 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.82 0.848 . . . . 0.0 111.962 173.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -120.42 -27.22 5.24 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.974 1.309 . . . . 0.0 113.245 -170.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.3 p -139.88 -177.4 4.96 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.515 1.126 . . . . 0.0 112.904 171.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.9 m -74.16 5.41 4.44 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.198 1.399 . . . . 0.0 114.104 177.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -62.3 145.81 52.74 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.782 1.233 . . . . 0.0 113.213 -178.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 77.6 p -140.53 156.24 46.37 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 125.271 1.428 . . . . 0.0 112.102 169.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.4 t -144.64 167.24 23.02 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.695 1.198 . . . . 0.0 111.232 176.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -95.97 12.18 31.32 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.483 1.513 . . . . 0.0 112.377 172.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.8 t -138.85 128.5 24.73 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.491 1.516 . . . . 0.0 112.475 174.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.3 pttt -61.1 -33.63 73.67 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.466 1.506 . . . . 0.0 112.333 169.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.34 -44.26 75.26 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 123.843 0.735 . . . . 0.0 112.43 177.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -71.26 -32.78 69.14 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.47 -1.017 . . . . 0.0 112.385 175.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.3 tp -58.55 -43.09 89.21 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 119.012 0.824 . . . . 0.0 111.845 169.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.9 tttt -61.16 -47.16 87.49 Favored 'General case' 0 N--CA 1.463 0.225 0 O-C-N 121.579 -0.701 . . . . 0.0 110.406 176.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.4 t -61.4 -40.64 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 122.914 0.486 . . . . 0.0 111.772 177.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -57.34 -45.4 84.36 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.041 0.936 . . . . 0.0 112.26 175.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.4 mt -71.15 -41.83 75.66 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 O-C-N 121.045 -1.034 . . . . 0.0 111.001 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -64.52 -21.8 66.79 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.065 1.346 . . . . 0.0 113.64 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -102.95 -41.85 6.0 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.689 1.196 . . . . 0.0 113.864 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 25.2 t -92.33 -45.25 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-N 118.218 0.463 . . . . 0.0 111.646 -173.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -112.65 18.91 17.94 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 115.365 1.617 . . . . 0.0 115.365 -169.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? . . . . . 0 N--CA 1.471 0.581 0 C-N-CA 125.155 1.382 . . . . 0.0 111.364 -178.34 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 . . . . . 0 N--CA 1.469 0.481 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 45.0 p-80 -139.46 149.3 43.86 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.558 0.743 . . . . 0.0 112.22 168.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 53.3 t -76.15 122.09 23.8 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.97 1.308 . . . . 0.0 109.733 169.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.78 -22.21 62.4 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 120.806 -1.184 . . . . 0.0 113.496 178.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -81.95 -36.09 28.35 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.453 1.101 . . . . 0.0 113.661 -173.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 29.2 p -126.58 0.24 6.84 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 179.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . 0.337 63.2 mttp 58.08 28.05 15.79 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.959 2.104 . . . . 0.0 114.372 174.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -76.39 137.19 39.61 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 127.082 2.153 . . . . 0.0 110.247 169.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -91.66 146.94 23.37 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.174 0.99 . . . . 0.0 112.209 176.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -134.48 131.93 38.66 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.968 1.707 . . . . 0.0 111.051 -173.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 57.7 p -83.16 -6.47 59.49 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.13 1.372 . . . . 0.0 113.706 176.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -139.95 131.92 27.77 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.27 1.828 . . . . 0.0 110.566 177.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.8 p -65.81 -37.67 80.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-O 118.84 -0.6 . . . . 0.0 111.841 173.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -66.84 -37.64 84.88 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 120.222 1.373 . . . . 0.0 111.887 -177.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -70.17 -28.32 65.24 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 171.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.0 tp -62.59 -42.36 99.51 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 119.524 1.056 . . . . 0.0 111.686 170.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 15.9 mm -62.06 -45.22 99.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 O-C-N 121.707 -0.621 . . . . 0.0 110.531 177.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -60.06 -43.42 95.43 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.365 0.666 . . . . 0.0 111.882 176.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 66.6 t60 -58.48 -44.46 89.35 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.94 0.896 . . . . 0.0 112.504 172.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 54.4 mt -62.94 -45.38 99.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 O-C-N 121.566 -0.709 . . . . 0.0 111.065 175.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -63.05 -28.5 70.13 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 177.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -90.68 -45.9 8.58 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.236 1.014 . . . . 0.0 113.435 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -99.26 -25.63 14.44 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.726 1.21 . . . . 0.0 114.13 -172.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 . . . . . 0 CA--C 1.548 0.888 0 C-N-CA 125.673 1.589 . . . . 0.0 112.771 -172.785 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -61.61 -32.12 87.25 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 124.377 3.384 . . . . 0.0 115.402 -176.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -81.92 105.65 13.21 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.574 0.75 . . . . 0.0 111.03 -175.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -99.9 149.02 23.84 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.264 1.425 . . . . 0.0 112.357 -176.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.3 t -76.84 134.84 68.19 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 123.684 0.794 . . . . 0.0 110.169 169.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -77.58 -8.54 17.12 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 123.737 2.958 . . . . 0.0 112.341 173.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -115.13 -25.71 7.98 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -171.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.8 p -142.75 -174.57 4.2 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 174.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.8 p -75.02 0.78 14.79 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.403 1.481 . . . . 0.0 114.692 -178.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -60.13 145.31 47.28 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.946 1.298 . . . . 0.0 114.017 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -146.91 152.16 38.23 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.097 1.359 . . . . 0.0 111.823 171.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.4 t -146.62 168.07 22.18 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.558 1.143 . . . . 0.0 112.523 172.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.65 -0.99 57.88 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.334 1.453 . . . . 0.0 114.332 177.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 56.4 mt -135.24 135.49 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 125.236 1.414 . . . . 0.0 110.248 -170.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -63.23 -40.02 96.28 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.952 0.901 . . . . 0.0 112.743 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.97 -36.01 76.2 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.724 0.81 . . . . 0.0 113.032 174.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -71.03 -26.4 63.09 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.447 -0.783 . . . . 0.0 112.386 175.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.5 tp -75.82 -44.86 39.0 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 119.006 0.821 . . . . 0.0 111.087 169.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -54.36 -46.57 73.01 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 118.966 0.803 . . . . 0.0 111.606 176.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.25 -34.12 64.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 123.395 0.678 . . . . 0.0 112.381 -176.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -67.57 -40.08 84.9 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.575 1.15 . . . . 0.0 112.836 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 61.8 mt -61.51 -21.86 64.6 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.06 0.944 . . . . 0.0 113.358 -178.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.0 mtp85 . . . . . 0 N--CA 1.477 0.89 0 C-N-CA 125.809 1.644 . . . . 0.0 114.279 -178.967 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.421 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.1 t -68.77 141.49 55.19 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 122.217 1.008 . . . . 0.0 111.81 171.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -82.78 -7.24 59.67 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.919 0.887 . . . . 0.0 111.892 174.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -120.04 -25.96 5.66 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.704 1.202 . . . . 0.0 113.804 -171.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 29.5 p -139.19 -177.91 5.12 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 169.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.1 m -72.66 3.36 5.12 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.299 1.439 . . . . 0.0 114.045 176.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -60.2 145.45 47.11 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.196 0.998 . . . . 0.0 113.127 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.7 p -142.84 149.65 38.85 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 125.486 1.515 . . . . 0.0 112.004 173.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 18.6 t -140.23 152.16 45.73 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.663 1.185 . . . . 0.0 112.208 -178.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -83.57 -7.8 59.45 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.503 1.121 . . . . 0.0 112.713 172.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.8 m -129.07 124.79 35.73 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.881 1.672 . . . . 0.0 112.016 -176.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -66.11 -37.15 85.03 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.181 1.392 . . . . 0.0 113.337 -173.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.19 -34.95 91.0 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 123.569 0.604 . . . . 0.0 113.344 177.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -74.23 -31.81 62.74 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.407 -1.055 . . . . 0.0 112.237 175.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 54.6 tp -60.52 -43.04 97.53 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 119.389 0.995 . . . . 0.0 111.239 169.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -58.16 -53.16 61.43 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.885 -0.509 . . . . 0.0 110.28 175.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 69.8 t -61.24 -36.95 76.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -55.77 -43.47 76.77 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.327 0.651 . . . . 0.0 111.883 173.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 78.7 mt -72.03 -37.29 59.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 O-C-N 120.873 -1.142 . . . . 0.0 111.062 175.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -69.9 -10.98 60.47 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.441 1.274 . . . . 0.0 114.441 177.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.7 ptt180 -114.68 -39.97 3.66 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 179.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.3 t -92.24 -45.36 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 C-N-CA 122.641 0.376 . . . . 0.0 111.306 -175.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 65.5 m-70 -110.48 22.92 14.89 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.041 1.336 . . . . 0.0 114.23 -172.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.473 0.7 0 C-N-CA 124.409 1.084 . . . . 0.0 110.83 179.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.0 mp0 . . . . . 0 N--CA 1.471 0.576 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -132.26 147.3 52.4 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.206 1.003 . . . . 0.0 111.873 167.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 52.8 t -72.43 130.36 40.52 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.501 1.521 . . . . 0.0 111.443 175.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.97 -17.17 61.04 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 179.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -91.47 -40.57 11.33 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.318 1.047 . . . . 0.0 112.818 -176.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.6 p -128.98 0.77 5.29 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 115.377 1.621 . . . . 0.0 115.377 -174.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 60.42 17.37 7.15 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 126.722 2.009 . . . . 0.0 114.309 175.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -67.42 134.67 51.85 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.426 1.49 . . . . 0.0 110.301 170.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -87.2 142.85 27.6 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.55 0.74 . . . . 0.0 112.301 177.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -128.1 132.07 49.0 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.631 1.172 . . . . 0.0 111.313 -177.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.8 m -79.83 -20.03 47.03 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.588 1.155 . . . . 0.0 113.727 -176.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -138.31 130.7 28.96 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.761 1.624 . . . . 0.0 109.922 176.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.19 -35.25 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -174.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -58.77 -36.02 73.71 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 121.182 -0.949 . . . . 0.0 112.462 178.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -78.37 -25.25 46.22 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 175.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.1 tp -64.39 -43.68 93.71 Favored 'General case' 0 CA--C 1.537 0.442 0 CA-C-N 119.16 0.891 . . . . 0.0 110.896 169.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 17.1 mm -61.3 -45.18 99.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 O-C-N 121.731 -0.606 . . . . 0.0 110.511 176.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -61.16 -43.08 99.44 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.056 0.942 . . . . 0.0 111.939 177.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 59.6 t60 -59.92 -44.36 94.35 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.267 1.027 . . . . 0.0 112.55 171.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 58.1 mt -60.81 -46.92 95.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 O-C-N 121.64 -0.662 . . . . 0.0 110.712 176.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -62.07 -38.14 87.66 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 175.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -81.74 -40.11 23.2 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 -177.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -101.69 -29.94 11.62 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -171.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 . . . . . 0 N--CA 1.475 0.824 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 -171.604 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt . . . . . 0 N--CA 1.481 1.079 0 N-CA-C 114.36 1.245 . . . . 0.0 114.36 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -64.61 -29.42 60.78 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 124.553 3.502 . . . . 0.0 115.806 -177.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -87.55 106.22 17.85 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.185 0.594 . . . . 0.0 111.192 -176.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -100.91 150.19 23.11 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 125.274 1.43 . . . . 0.0 112.035 -178.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.2 t -76.2 137.13 68.58 Favored Pre-proline 0 CA--C 1.548 0.875 0 C-N-CA 124.3 1.04 . . . . 0.0 110.521 170.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -77.71 -11.48 16.88 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 123.905 3.07 . . . . 0.0 112.456 174.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -111.7 -26.96 8.73 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -173.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.0 p -141.76 -176.81 4.91 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 177.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.5 p -73.73 0.46 12.92 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.32 1.448 . . . . 0.0 114.623 -177.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -60.07 143.46 52.0 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.908 1.283 . . . . 0.0 113.778 178.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.12 152.93 35.53 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.699 1.2 . . . . 0.0 112.243 169.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 t -147.11 170.68 16.68 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.829 1.251 . . . . 0.0 112.614 177.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -92.55 -0.94 57.27 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.502 1.521 . . . . 0.0 114.242 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 65.6 mt -135.9 134.19 50.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.354 1.462 . . . . 0.0 109.9 -170.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -63.04 -38.87 92.9 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 121.537 -0.727 . . . . 0.0 112.577 178.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.04 -34.31 74.67 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.958 0.903 . . . . 0.0 113.212 175.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -68.4 -37.97 80.86 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.44 -0.787 . . . . 0.0 111.314 173.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 54.9 tp -65.7 -45.23 83.59 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.24 -0.913 . . . . 0.0 111.521 171.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -54.5 -46.42 73.45 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.276 0.944 . . . . 0.0 111.668 176.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.29 -35.96 70.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 123.183 0.593 . . . . 0.0 112.255 -176.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -65.53 -41.93 92.56 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.05 0.94 . . . . 0.0 112.635 178.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 61.6 mt -60.65 -21.26 62.59 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.28 1.032 . . . . 0.0 113.276 -178.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 . . . . . 0 N--CA 1.477 0.878 0 C-N-CA 124.687 1.195 . . . . 0.0 113.413 179.485 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.459 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.3 t -64.31 142.12 58.53 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 122.81 1.29 . . . . 0.0 111.457 169.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -77.22 -8.28 57.3 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 114.733 -1.121 . . . . 0.0 112.153 175.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -125.36 -25.64 3.73 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 -169.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 26.7 p -137.82 -177.96 5.04 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 169.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.0 m -74.39 4.44 5.91 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.439 1.496 . . . . 0.0 114.057 177.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -60.57 149.07 35.87 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.315 1.046 . . . . 0.0 112.831 178.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 47.9 p -141.5 153.59 45.01 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.967 1.307 . . . . 0.0 112.682 173.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 7.7 t -148.25 153.17 38.36 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.195 0.998 . . . . 0.0 112.329 175.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 97.3 mt -82.59 -2.51 53.98 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.736 1.214 . . . . 0.0 113.623 171.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.2 t -126.65 121.78 33.11 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.678 1.591 . . . . 0.0 110.664 177.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -65.98 -30.82 71.44 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.655 1.182 . . . . 0.0 112.707 176.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.31 -38.22 71.03 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 123.644 0.64 . . . . 0.0 112.889 174.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 60.3 m80 -68.75 -39.79 80.13 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.448 -1.03 . . . . 0.0 112.594 172.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 62.8 tp -59.14 -39.52 82.66 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.174 0.99 . . . . 0.0 112.169 170.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -57.58 -53.75 54.58 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 118.449 -0.786 . . . . 0.0 110.32 169.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 85.3 t -55.13 -40.63 55.99 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-N 119.351 0.978 . . . . 0.0 112.371 177.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -56.63 -45.92 81.26 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 118.789 0.722 . . . . 0.0 112.063 175.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 91.9 mt -72.26 -38.72 62.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 O-C-N 120.696 -1.253 . . . . 0.0 111.463 178.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -69.68 -11.75 61.09 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.506 1.522 . . . . 0.0 113.451 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -114.83 -42.39 3.24 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.727 1.211 . . . . 0.0 114.23 176.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.3 t -88.99 -47.31 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 118.251 0.478 . . . . 0.0 111.109 -174.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -105.59 23.45 13.81 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.454 1.502 . . . . 0.0 113.587 -175.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? . . . . . 0 CA--C 1.546 0.811 0 C-N-CA 125.408 1.483 . . . . 0.0 111.183 175.668 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.6 mp0 . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 120.276 0.084 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -134.91 150.78 50.46 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.769 0.828 . . . . 0.0 112.601 167.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 50.8 t -77.28 131.98 38.42 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.92 1.688 . . . . 0.0 111.956 176.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.51 -15.19 60.42 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -93.0 -37.54 12.14 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.221 1.009 . . . . 0.0 112.913 -177.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 23.8 p -131.46 0.18 4.03 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 115.512 1.671 . . . . 0.0 115.512 -173.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt 56.65 19.05 4.01 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 126.317 1.847 . . . . 0.0 115.022 -178.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -65.95 136.52 56.2 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.466 1.106 . . . . 0.0 110.144 169.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 62.8 mtpt -87.77 141.31 28.7 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.696 0.798 . . . . 0.0 111.98 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -125.14 157.9 35.25 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 125.992 1.717 . . . . 0.0 111.312 -177.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.5 t -118.49 5.15 11.72 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.974 1.309 . . . . 0.0 113.887 -175.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -153.52 135.37 14.58 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 125.905 1.682 . . . . 0.0 108.445 168.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.9 p -59.66 -37.38 70.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-O 118.812 -0.613 . . . . 0.0 111.181 177.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -63.64 -36.92 85.43 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.517 1.053 . . . . 0.0 111.876 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -74.09 -27.2 60.78 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 174.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.8 tp -64.47 -42.1 96.11 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.965 0.802 . . . . 0.0 111.336 169.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 15.0 mm -61.7 -46.58 96.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 O-C-N 121.728 -0.608 . . . . 0.0 110.377 174.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -57.7 -41.9 82.65 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.333 1.053 . . . . 0.0 111.991 178.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 60.0 t60 -61.37 -44.92 96.34 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.502 1.121 . . . . 0.0 112.979 171.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 57.9 mt -63.21 -42.0 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 O-C-N 121.321 -0.862 . . . . 0.0 110.83 176.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 77.4 mtp85 -65.06 -21.69 66.86 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 114.638 1.348 . . . . 0.0 114.638 174.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -97.4 -42.36 7.78 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.598 1.159 . . . . 0.0 113.66 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.29 -25.44 11.48 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.929 1.292 . . . . 0.0 114.319 -170.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 . . . . . 0 CA--C 1.549 0.924 0 C-N-CA 125.413 1.485 . . . . 0.0 112.564 -174.328 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.6 mttt . . . . . 0 CA--C 1.55 0.947 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.12 -28.93 88.01 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 124.797 3.665 . . . . 0.0 115.28 -175.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -87.2 101.71 13.77 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.438 0.695 . . . . 0.0 110.992 -177.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -97.55 150.13 21.45 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.516 1.527 . . . . 0.0 111.623 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.1 t -75.97 136.44 69.83 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 124.104 0.962 . . . . 0.0 110.499 170.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -77.6 -10.52 17.19 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 123.874 3.049 . . . . 0.0 112.293 174.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -112.28 -27.38 8.34 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 -173.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.2 p -143.73 -177.49 5.44 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.523 0.935 . . . . 0.0 113.523 178.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.8 m -71.56 -0.3 10.31 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.219 1.408 . . . . 0.0 114.566 -177.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -62.28 145.89 52.48 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.014 1.326 . . . . 0.0 113.921 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -151.13 156.41 40.94 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.635 1.174 . . . . 0.0 111.926 169.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.0 t -146.8 167.07 24.79 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.749 1.22 . . . . 0.0 112.575 173.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.39 -2.15 57.79 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.268 1.427 . . . . 0.0 114.558 175.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 56.1 mt -133.81 135.0 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 125.148 1.379 . . . . 0.0 110.363 -171.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -62.85 -39.8 95.5 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.01 0.924 . . . . 0.0 112.64 177.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.11 -35.64 75.68 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.775 0.83 . . . . 0.0 113.101 173.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -71.57 -25.84 62.37 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.395 -0.816 . . . . 0.0 112.438 175.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.2 tp -76.38 -44.7 35.11 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.404 -0.81 . . . . 0.0 111.035 168.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -53.53 -48.12 69.35 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.237 0.926 . . . . 0.0 111.328 176.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.35 -33.9 66.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 123.467 0.707 . . . . 0.0 112.39 -176.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -68.79 -40.8 79.42 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.409 1.083 . . . . 0.0 112.51 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 71.1 mt -63.1 -26.75 68.97 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.689 0.796 . . . . 0.0 112.311 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 . . . . . 0 N--CA 1.481 1.087 0 C-N-CA 125.02 1.328 . . . . 0.0 113.977 175.682 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.557 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.7 t -66.42 142.44 57.58 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 122.216 1.008 . . . . 0.0 111.569 171.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -81.94 -5.0 57.93 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.777 0.831 . . . . 0.0 112.03 175.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -121.96 -26.56 4.76 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.653 1.181 . . . . 0.0 113.668 -170.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.4 p -140.67 -178.55 5.58 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.33 1.052 . . . . 0.0 113.246 171.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.7 m -72.64 4.04 4.38 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.305 1.442 . . . . 0.0 114.151 177.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -61.63 148.49 42.31 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.358 1.063 . . . . 0.0 113.152 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.0 p -142.59 149.84 39.54 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 125.239 1.416 . . . . 0.0 111.848 174.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.7 t -147.38 152.67 38.55 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.638 0.775 . . . . 0.0 112.26 176.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -78.43 -2.44 38.41 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.524 1.529 . . . . 0.0 112.878 175.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.9 t -132.11 126.38 33.58 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.903 1.681 . . . . 0.0 111.902 177.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.7 pttt -64.92 -30.96 71.98 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.933 1.293 . . . . 0.0 112.733 171.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.69 -37.12 76.47 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 123.655 0.645 . . . . 0.0 112.692 177.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -73.56 -35.57 65.5 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.386 1.093 . . . . 0.0 112.023 170.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.8 tp -61.24 -38.11 85.48 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.509 -0.744 . . . . 0.0 112.336 174.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -57.28 -49.15 76.99 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.721 -0.612 . . . . 0.0 110.956 171.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.46 -39.2 83.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 123.111 0.565 . . . . 0.0 111.683 177.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 65.1 t60 -58.11 -44.21 87.57 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.513 0.725 . . . . 0.0 111.979 174.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 80.9 mt -70.92 -40.71 76.75 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 O-C-N 120.727 -1.233 . . . . 0.0 111.018 177.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -68.81 -16.0 63.66 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.966 1.306 . . . . 0.0 113.947 179.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -106.1 -40.77 5.55 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 176.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.0 t -92.97 -46.37 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 118.175 0.443 . . . . 0.0 111.555 -174.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -107.96 14.03 25.65 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 115.151 1.537 . . . . 0.0 115.151 -170.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.471 0.595 0 C-N-CA 125.599 1.56 . . . . 0.0 110.355 178.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 . . . . . 0 N--CA 1.472 0.628 0 CA-C-O 119.983 -0.056 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -138.48 154.05 48.81 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 170.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.8 t -73.66 140.83 46.38 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.604 1.962 . . . . 0.0 113.006 177.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.23 -3.31 58.6 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.623 1.169 . . . . 0.0 113.791 176.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -108.81 -34.42 6.67 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.317 1.047 . . . . 0.0 113.286 -178.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 22.0 p -131.59 4.32 4.26 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 -177.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? 58.66 12.03 2.02 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 126.692 1.997 . . . . 0.0 115.385 179.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -64.71 139.06 58.72 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.049 1.34 . . . . 0.0 111.355 175.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -86.29 145.03 27.1 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.341 1.057 . . . . 0.0 112.111 176.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -132.01 141.61 49.31 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.042 1.737 . . . . 0.0 112.902 -172.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.5 p -76.78 -23.52 52.9 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.002 1.721 . . . . 0.0 114.484 -173.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -148.43 145.64 28.09 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 126.511 1.924 . . . . 0.0 108.418 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.5 p -58.19 -37.86 64.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 CA-C-O 118.698 -0.668 . . . . 0.0 111.373 173.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -63.82 -34.71 78.54 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 119.837 1.198 . . . . 0.0 112.39 177.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -70.88 -33.95 71.11 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 122.778 0.431 . . . . 0.0 111.917 174.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.93 -40.7 98.44 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.031 0.532 . . . . 0.0 111.946 172.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 13.9 mm -61.57 -46.51 96.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 CA-C-N 118.446 0.567 . . . . 0.0 110.282 176.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -59.9 -40.44 88.81 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.637 0.775 . . . . 0.0 112.02 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 58.9 t60 -60.72 -44.65 96.35 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.002 0.921 . . . . 0.0 112.976 170.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 56.7 mt -63.56 -42.79 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 O-C-N 121.258 -0.901 . . . . 0.0 110.858 176.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 71.3 mtp85 -66.0 -19.76 65.96 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 174.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -97.71 -41.86 7.89 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.398 1.079 . . . . 0.0 113.626 178.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.24 -26.02 11.24 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.974 1.31 . . . . 0.0 114.52 -171.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 . . . . . 0 CA--C 1.547 0.843 0 C-N-CA 125.33 1.452 . . . . 0.0 112.51 -173.424 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.9 mtmt . . . . . 0 N--CA 1.481 1.119 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -61.67 -31.58 86.53 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 124.267 3.311 . . . . 0.0 114.589 -176.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -88.66 100.03 12.79 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.293 0.637 . . . . 0.0 111.462 -170.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -95.6 150.49 20.28 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.165 1.786 . . . . 0.0 112.251 -177.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.7 t -76.92 135.92 66.96 Favored Pre-proline 0 CA--C 1.546 0.825 0 C-N-CA 124.765 1.226 . . . . 0.0 110.284 171.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -78.34 -8.52 16.25 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 123.918 3.079 . . . . 0.0 112.523 173.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -114.63 -24.39 8.79 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.538 1.135 . . . . 0.0 113.879 -171.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.4 p -143.58 -173.97 4.11 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 123.875 0.87 . . . . 0.0 113.344 172.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.1 p -75.41 0.31 17.39 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.554 1.541 . . . . 0.0 114.666 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -60.01 145.53 46.0 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.085 1.354 . . . . 0.0 114.046 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.28 152.87 37.87 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.104 1.361 . . . . 0.0 111.617 169.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.8 t -144.34 163.56 33.37 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.16 0.984 . . . . 0.0 112.796 173.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.78 0.62 57.39 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.481 1.512 . . . . 0.0 113.719 175.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.0 mt -128.29 128.49 68.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 125.504 1.522 . . . . 0.0 108.85 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -28.82 67.03 Favored 'General case' 0 N--CA 1.481 1.112 0 O-C-N 121.148 -0.97 . . . . 0.0 113.052 -179.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.12 -33.79 76.22 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 169.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -67.96 -38.71 83.08 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.407 -0.808 . . . . 0.0 111.289 172.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.7 tp -63.63 -45.07 91.89 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.157 -0.964 . . . . 0.0 111.907 171.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -55.58 -47.04 77.09 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.235 0.925 . . . . 0.0 111.712 175.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.97 -35.4 68.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 123.155 0.582 . . . . 0.0 112.205 -176.039 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -64.95 -38.01 89.54 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.264 1.026 . . . . 0.0 113.093 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.6 mt -61.92 -21.31 64.65 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 121.444 -0.785 . . . . 0.0 113.037 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.4 mtp85 . . . . . 0 N--CA 1.478 0.939 0 C-N-CA 124.606 1.162 . . . . 0.0 113.722 177.194 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.384 0 N-CA-C 113.018 0.748 . . . . 0.0 113.018 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 45.8 t -67.79 141.35 56.56 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-O 122.108 0.956 . . . . 0.0 111.735 171.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -84.16 -5.06 59.19 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.831 0.853 . . . . 0.0 111.851 173.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -120.04 -26.73 5.49 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.959 1.304 . . . . 0.0 113.488 -170.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.0 p -139.98 -176.14 4.48 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.375 1.07 . . . . 0.0 113.005 170.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.1 m -75.64 5.86 5.57 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.215 1.406 . . . . 0.0 114.097 177.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -62.18 147.04 48.99 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.558 1.143 . . . . 0.0 113.003 -178.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 82.8 p -141.2 156.24 45.95 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 125.273 1.429 . . . . 0.0 112.333 169.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.4 t -143.51 158.64 43.49 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.158 0.983 . . . . 0.0 112.088 172.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -84.32 -3.66 58.39 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.61 1.164 . . . . 0.0 112.476 170.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.4 t -116.51 130.27 56.66 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.569 1.548 . . . . 0.0 111.873 175.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -68.84 -32.0 71.38 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.437 1.495 . . . . 0.0 111.825 175.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.56 -41.25 66.04 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.241 0.924 . . . . 0.0 112.691 174.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 61.8 m170 -66.75 -31.49 72.17 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.449 -1.03 . . . . 0.0 112.449 176.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 59.0 tp -61.71 -44.22 97.35 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.036 0.834 . . . . 0.0 111.978 170.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.6 tttt -60.57 -47.39 86.4 Favored 'General case' 0 N--CA 1.464 0.236 0 O-C-N 121.589 -0.695 . . . . 0.0 110.343 175.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 96.8 t -60.49 -42.4 91.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 CA-C-N 118.325 0.511 . . . . 0.0 111.721 177.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -56.03 -46.76 78.74 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.009 0.924 . . . . 0.0 112.377 175.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 87.0 mt -70.13 -41.43 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 O-C-N 120.876 -1.14 . . . . 0.0 111.016 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -66.5 -18.05 65.15 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.242 1.417 . . . . 0.0 114.154 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 32.0 ptt85 -107.03 -41.54 5.14 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.529 1.131 . . . . 0.0 114.003 177.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.3 t -91.68 -43.71 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 CA-C-N 118.257 0.481 . . . . 0.0 111.537 -173.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -109.49 17.25 21.6 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.915 1.286 . . . . 0.0 114.183 -172.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.3 tmmm? . . . . . 0 N--CA 1.471 0.618 0 C-N-CA 125.769 1.628 . . . . 0.0 110.153 170.244 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 . . . . . 0 CA--C 1.543 0.709 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -131.78 151.86 51.37 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 169.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.5 t -72.93 132.86 44.01 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.971 1.708 . . . . 0.0 112.57 178.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.08 -3.99 53.78 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 177.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -105.13 -35.54 7.57 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.661 1.184 . . . . 0.0 113.155 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.9 p -132.93 1.64 3.6 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 -176.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt 57.11 16.34 2.88 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 126.288 1.835 . . . . 0.0 115.356 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -65.53 138.29 57.97 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.701 1.2 . . . . 0.0 110.522 170.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -89.46 143.7 26.62 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.119 0.967 . . . . 0.0 112.402 178.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -135.16 130.31 35.19 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.923 1.689 . . . . 0.0 111.279 -174.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.4 m -78.47 -7.01 56.98 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -174.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -143.97 145.41 32.22 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 125.329 1.452 . . . . 0.0 109.778 169.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.8 p -62.73 -40.76 89.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-O 118.728 -0.653 . . . . 0.0 110.589 174.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 42.6 mmtm -59.66 -37.06 77.71 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 119.839 1.2 . . . . 0.0 112.637 177.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -73.98 -29.48 62.0 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 176.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.5 tp -63.77 -41.05 98.05 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.676 -0.64 . . . . 0.0 111.597 169.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 16.3 mm -61.51 -44.5 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 O-C-N 121.717 -0.614 . . . . 0.0 110.271 174.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.28 -40.69 86.91 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.675 0.79 . . . . 0.0 111.933 178.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 52.2 t60 -62.27 -44.91 95.45 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.796 1.238 . . . . 0.0 112.985 170.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 49.1 mt -60.37 -42.79 92.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-N 119.094 0.861 . . . . 0.0 110.826 175.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 91.4 mtt-85 -67.21 -17.25 64.74 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 175.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -100.45 -41.17 7.11 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.521 1.128 . . . . 0.0 113.879 177.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.27 -27.07 10.75 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.197 1.399 . . . . 0.0 114.5 -171.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 . . . . . 0 CA--C 1.546 0.819 0 C-N-CA 125.032 1.333 . . . . 0.0 113.322 -172.465 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.1 mttp . . . . . 0 N--CA 1.48 1.05 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -62.63 -29.06 77.43 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 124.642 3.561 . . . . 0.0 115.475 -178.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -86.97 103.3 15.2 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.286 0.634 . . . . 0.0 111.163 -177.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -98.53 149.82 22.33 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 125.21 1.404 . . . . 0.0 111.992 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.8 t -76.38 136.23 68.58 Favored Pre-proline 0 CA--C 1.548 0.877 0 C-N-CA 124.273 1.029 . . . . 0.0 110.339 169.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -78.21 -11.05 16.29 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 123.982 3.121 . . . . 0.0 112.333 173.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -110.24 -27.05 9.29 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 -173.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.2 p -143.25 -176.07 4.78 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 177.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.6 p -73.91 -0.13 15.15 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.218 1.407 . . . . 0.0 114.619 -178.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -60.79 144.75 51.88 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.934 1.294 . . . . 0.0 113.82 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.47 155.73 40.86 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.559 1.144 . . . . 0.0 112.192 169.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.3 t -142.25 160.72 39.69 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.445 1.498 . . . . 0.0 112.441 178.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.83 -5.36 59.25 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.921 1.289 . . . . 0.0 113.69 170.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 61.2 mt -130.54 128.57 63.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 124.981 1.312 . . . . 0.0 110.219 -172.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -59.99 -39.15 84.74 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.923 0.889 . . . . 0.0 112.919 179.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.54 -33.83 74.5 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 174.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -76.27 -20.79 57.03 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.521 -0.737 . . . . 0.0 112.365 175.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.0 tp -78.39 -44.73 24.16 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.179 0.899 . . . . 0.0 110.748 166.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -53.76 -47.63 70.52 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.193 0.906 . . . . 0.0 111.777 176.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.8 -33.65 64.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 123.761 0.824 . . . . 0.0 112.339 -177.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -68.69 -39.08 80.69 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.63 1.172 . . . . 0.0 112.417 178.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 65.8 mt -64.84 -23.68 67.31 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.973 0.909 . . . . 0.0 112.679 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 . . . . . 0 N--CA 1.478 0.971 0 C-N-CA 124.027 0.931 . . . . 0.0 112.385 174.978 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.416 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.3 t -67.83 139.9 56.57 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 122.182 0.992 . . . . 0.0 111.582 171.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -83.22 -4.98 58.96 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.774 0.83 . . . . 0.0 111.776 173.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -119.61 -26.21 5.79 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.994 1.318 . . . . 0.0 113.434 -170.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.1 p -141.39 -175.69 4.45 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.492 1.117 . . . . 0.0 113.159 169.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.2 m -74.2 3.91 6.46 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.365 1.466 . . . . 0.0 114.081 176.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -61.2 147.2 45.04 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.233 1.013 . . . . 0.0 113.339 -178.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.3 p -144.0 149.46 36.75 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.386 1.474 . . . . 0.0 112.23 173.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.8 t -145.49 154.32 42.09 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.228 1.011 . . . . 0.0 112.025 174.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -83.83 -3.66 58.05 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.464 1.105 . . . . 0.0 113.132 176.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.5 m -124.31 127.43 47.61 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.419 1.488 . . . . 0.0 111.526 178.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -69.48 -33.98 73.68 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.334 1.053 . . . . 0.0 113.053 -174.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.15 -35.4 91.66 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 123.923 0.773 . . . . 0.0 113.049 173.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 63.5 m170 -72.26 -32.2 66.46 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.363 -1.08 . . . . 0.0 112.129 175.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.7 tp -62.42 -43.4 98.91 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.077 0.853 . . . . 0.0 111.271 169.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -57.71 -50.11 74.28 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.771 -0.581 . . . . 0.0 111.025 173.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 83.5 t -60.04 -40.25 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 CA-C-N 118.767 0.712 . . . . 0.0 111.93 177.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -56.97 -47.35 80.96 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.346 0.659 . . . . 0.0 111.676 175.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 84.2 mt -70.33 -40.31 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 120.836 -1.165 . . . . 0.0 111.304 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -68.62 -12.68 61.66 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.183 1.393 . . . . 0.0 114.318 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -113.87 -41.54 3.55 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 176.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.7 t -89.46 -47.49 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 123.016 0.527 . . . . 0.0 111.074 -174.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -104.21 21.46 16.49 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.431 1.492 . . . . 0.0 113.629 -176.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.2 tptt . . . . . 0 CA--C 1.544 0.72 0 C-N-CA 125.338 1.455 . . . . 0.0 111.607 178.251 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 43.2 p-80 -131.68 147.4 52.51 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.888 1.275 . . . . 0.0 111.673 167.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 53.9 t -68.11 130.92 44.38 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.194 1.398 . . . . 0.0 112.064 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.64 -2.35 38.67 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 176.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -112.18 -36.14 5.42 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.643 1.177 . . . . 0.0 113.194 177.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.274 15.5 p -131.41 9.32 4.71 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 116.389 1.996 . . . . 0.0 116.389 -175.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 91.4 mttt 56.8 6.76 0.33 Allowed 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 127.888 2.475 . . . . 0.0 116.546 174.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.4 mttp -61.25 134.05 56.57 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 127.471 2.308 . . . . 0.0 111.238 172.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -82.82 140.68 32.81 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.56 0.744 . . . . 0.0 111.827 176.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -126.71 131.12 51.44 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.179 1.392 . . . . 0.0 111.363 -177.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.8 m -69.67 -13.41 62.29 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.959 1.304 . . . . 0.0 114.121 -173.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -148.99 141.84 24.65 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 125.358 1.463 . . . . 0.0 109.635 169.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.8 p -54.64 -38.44 42.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-O 118.694 -0.67 . . . . 0.0 111.547 171.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -60.58 -37.52 81.59 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.853 1.206 . . . . 0.0 112.174 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -76.45 -27.63 56.25 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 122.846 0.458 . . . . 0.0 112.196 175.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.5 tp -64.0 -41.06 97.61 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.605 -0.684 . . . . 0.0 111.522 169.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 19.3 mm -60.38 -44.92 97.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 CA-C-N 118.537 0.608 . . . . 0.0 110.112 175.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -42.04 87.57 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.819 0.847 . . . . 0.0 112.029 177.432 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -62.3 -44.21 97.03 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.813 1.245 . . . . 0.0 113.034 171.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 57.8 mt -63.4 -42.28 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 O-C-N 121.288 -0.882 . . . . 0.0 110.83 176.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -62.33 -23.07 66.55 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 173.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -97.22 -44.45 6.92 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.466 1.106 . . . . 0.0 113.869 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -105.72 -24.85 12.43 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.236 1.414 . . . . 0.0 114.235 -170.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 61.1 m-70 . . . . . 0 CA--C 1.548 0.868 0 C-N-CA 125.344 1.458 . . . . 0.0 112.424 -175.103 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.0 mttt . . . . . 0 N--CA 1.478 0.965 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -61.66 -29.48 83.95 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 124.543 3.496 . . . . 0.0 115.328 -175.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -86.09 102.41 13.82 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.296 0.638 . . . . 0.0 111.064 -177.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -98.06 149.81 22.09 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.522 1.529 . . . . 0.0 111.867 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.7 t -76.73 135.94 67.61 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 124.365 1.066 . . . . 0.0 110.323 170.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -77.88 -9.83 16.86 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 123.801 3.001 . . . . 0.0 112.45 174.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -114.43 -24.71 8.72 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -172.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.5 p -142.37 -175.53 4.48 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 174.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.4 p -74.49 0.14 15.7 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.399 1.479 . . . . 0.0 114.64 -178.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -59.95 145.14 47.13 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.974 1.309 . . . . 0.0 114.042 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.78 155.01 39.39 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.665 1.186 . . . . 0.0 112.139 169.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.6 t -147.41 167.21 24.94 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.837 1.255 . . . . 0.0 112.725 174.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.61 -2.49 58.65 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.246 1.419 . . . . 0.0 114.396 176.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 63.9 mt -132.24 133.84 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 125.233 1.413 . . . . 0.0 110.31 -171.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -63.1 -39.36 94.47 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.156 0.982 . . . . 0.0 112.881 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.09 -33.85 75.2 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.025 0.93 . . . . 0.0 113.127 175.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -68.52 -38.49 80.94 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.469 -0.769 . . . . 0.0 111.396 174.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.1 tp -64.99 -45.25 86.4 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.247 -0.908 . . . . 0.0 111.495 171.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -54.41 -47.25 72.99 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.248 0.931 . . . . 0.0 111.765 175.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.1 -35.18 67.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-O 121.102 0.477 . . . . 0.0 112.225 -176.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -65.91 -41.52 91.33 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.073 0.949 . . . . 0.0 112.582 177.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.7 mt -60.47 -21.91 62.91 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.339 1.056 . . . . 0.0 113.263 -178.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 . . . . . 0 N--CA 1.474 0.756 0 C-N-CA 124.864 1.266 . . . . 0.0 113.235 178.62 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.506 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.2 t -67.45 143.04 56.45 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 122.188 0.994 . . . . 0.0 111.727 171.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -82.45 -5.53 58.74 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.916 0.886 . . . . 0.0 112.053 175.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -121.62 -26.67 4.87 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.719 1.208 . . . . 0.0 113.674 -170.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.3 p -139.3 -176.61 4.59 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.427 1.091 . . . . 0.0 113.156 171.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.5 p -76.26 5.38 7.07 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.636 1.574 . . . . 0.0 114.363 176.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -60.22 146.35 43.94 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 123.945 0.898 . . . . 0.0 112.691 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 79.6 p -138.3 152.56 48.63 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 125.006 1.322 . . . . 0.0 112.064 170.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 10.8 t -141.3 153.37 45.14 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.033 0.933 . . . . 0.0 112.581 -174.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -90.45 0.8 57.16 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.118 1.367 . . . . 0.0 113.08 172.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.9 t -136.67 124.29 22.32 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.658 1.583 . . . . 0.0 111.186 174.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.3 pttt -62.27 -32.34 73.04 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.541 1.136 . . . . 0.0 112.501 172.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.85 -30.91 65.24 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 123.884 0.754 . . . . 0.0 113.361 176.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -78.09 -33.28 50.8 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.447 1.124 . . . . 0.0 112.147 169.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 66.4 tp -60.46 -38.83 85.45 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 121.461 -0.775 . . . . 0.0 111.894 172.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -55.47 -50.73 69.11 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 121.735 -0.603 . . . . 0.0 111.16 169.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.8 t -61.54 -39.12 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 122.864 0.465 . . . . 0.0 111.729 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -57.42 -45.99 84.02 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.388 0.675 . . . . 0.0 111.808 174.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.1 mt -70.34 -40.87 78.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 O-C-N 121.018 -1.051 . . . . 0.0 110.983 177.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -69.03 -13.59 62.54 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.345 1.458 . . . . 0.0 114.166 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -110.12 -41.74 4.36 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 175.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.5 t -90.25 -46.29 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 CA-C-N 118.301 0.501 . . . . 0.0 111.285 -173.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -105.21 19.05 21.27 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.104 1.362 . . . . 0.0 114.275 -173.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.472 0.66 0 C-N-CA 125.605 1.562 . . . . 0.0 110.943 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 . . . . . 0 N--CA 1.471 0.603 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 42.7 p-80 -134.93 145.74 48.48 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.144 0.977 . . . . 0.0 111.708 167.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 41.4 t -75.29 128.24 34.97 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.432 1.493 . . . . 0.0 110.158 170.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -12.59 59.96 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 178.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -92.1 -33.86 14.59 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -176.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 29.3 p -130.57 2.27 4.53 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 115.25 1.574 . . . . 0.0 115.25 -178.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp 59.28 17.62 5.93 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 126.494 1.918 . . . . 0.0 114.854 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -69.59 134.63 49.01 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.076 1.35 . . . . 0.0 110.437 172.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -87.56 143.74 27.05 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.607 0.763 . . . . 0.0 111.9 176.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -127.52 137.22 52.57 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.29 1.436 . . . . 0.0 111.596 -175.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 36.4 m -88.57 -8.71 54.28 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.46 1.104 . . . . 0.0 113.64 -178.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -143.3 135.44 26.97 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 125.286 1.434 . . . . 0.0 109.802 173.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 10.0 p -59.85 -36.67 67.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-O 119.006 -0.521 . . . . 0.0 111.116 172.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -63.07 -34.52 77.76 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.454 1.024 . . . . 0.0 112.442 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -74.83 -32.01 61.84 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 122.965 0.506 . . . . 0.0 112.136 175.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.2 tp -62.34 -39.7 93.94 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.405 0.682 . . . . 0.0 112.004 172.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 16.9 mm -60.81 -51.05 77.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 118.458 0.572 . . . . 0.0 110.225 177.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.2 tttm -58.06 -43.04 86.69 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 176.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -56.48 -45.46 80.93 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.415 0.686 . . . . 0.0 112.137 174.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 66.9 mt -65.84 -45.36 91.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 O-C-N 121.493 -0.754 . . . . 0.0 110.936 176.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -64.46 -26.07 68.28 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 178.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -97.82 -37.73 9.73 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.482 1.113 . . . . 0.0 113.96 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.35 -23.16 12.32 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -173.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 . . . . . 0 CA--C 1.547 0.861 0 C-N-CA 125.583 1.553 . . . . 0.0 112.765 -175.912 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.4 mttt . . . . . 0 CA--C 1.544 0.73 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.491 ' HD2' ' HA ' ' A' ' 20' ' ' ALA . 53.0 Cg_endo -71.78 -27.88 17.51 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 124.268 3.312 . . . . 0.0 115.27 -177.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -82.65 98.38 9.0 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.407 0.549 . . . . 0.0 110.886 -175.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -92.05 148.64 22.03 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 126.076 1.75 . . . . 0.0 112.249 -178.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.1 t -76.73 133.45 70.17 Favored Pre-proline 0 CA--C 1.548 0.867 0 C-N-CA 124.365 1.066 . . . . 0.0 109.863 169.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -77.74 -6.65 16.22 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 123.982 3.122 . . . . 0.0 112.217 172.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -113.75 -28.24 7.51 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.815 1.246 . . . . 0.0 113.246 -170.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.3 p -143.3 -173.31 3.9 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.054 0.941 . . . . 0.0 113.001 174.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.0 p -75.4 0.22 17.7 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.317 1.447 . . . . 0.0 114.787 -177.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -61.17 146.09 48.81 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.157 1.383 . . . . 0.0 114.227 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.91 153.09 36.09 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.11 1.364 . . . . 0.0 111.872 169.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.8 t -146.15 153.09 40.27 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 174.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.491 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -62.45 -14.45 41.14 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.981 1.712 . . . . 0.0 115.252 168.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.9 mt -126.07 133.43 68.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.234 1.014 . . . . 0.0 111.381 -169.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -61.01 -43.36 99.0 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.108 1.363 . . . . 0.0 112.68 176.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.4 -35.28 73.66 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.66 0.784 . . . . 0.0 113.092 175.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -68.2 -39.33 82.46 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.637 -0.664 . . . . 0.0 111.635 174.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.3 tp -63.93 -45.74 87.91 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.15 -0.969 . . . . 0.0 111.478 171.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -56.0 -45.27 79.1 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 118.896 0.771 . . . . 0.0 111.748 177.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.22 -36.38 67.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 123.162 0.585 . . . . 0.0 112.178 -177.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -64.01 -41.69 97.39 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.534 1.134 . . . . 0.0 112.88 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.7 mt -59.72 -23.99 63.62 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.893 0.877 . . . . 0.0 112.969 -178.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 . . . . . 0 N--CA 1.473 0.677 0 C-N-CA 124.582 1.153 . . . . 0.0 113.138 -178.037 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.492 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.6 t -66.89 142.97 57.12 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 122.117 0.96 . . . . 0.0 111.763 171.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -83.11 -5.71 59.21 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.768 0.827 . . . . 0.0 111.937 175.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -120.42 -26.95 5.29 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.547 1.139 . . . . 0.0 113.498 -171.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.1 p -138.94 -178.07 5.16 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.171 0.989 . . . . 0.0 113.12 171.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.6 p -75.43 5.42 5.83 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.495 1.518 . . . . 0.0 114.293 177.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -62.07 148.25 44.79 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 124.916 1.286 . . . . 0.0 112.966 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.9 p -138.85 151.47 47.03 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 125.088 1.355 . . . . 0.0 111.89 170.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.9 t -142.41 152.75 43.11 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.201 1.001 . . . . 0.0 112.012 178.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -85.02 2.46 43.1 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.952 1.301 . . . . 0.0 113.326 177.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.9 t -136.32 130.49 32.99 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.642 1.577 . . . . 0.0 111.368 172.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.2 pttt -64.9 -31.69 73.04 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 125.01 1.324 . . . . 0.0 112.667 173.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.4 -38.11 62.48 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 123.541 0.591 . . . . 0.0 112.653 176.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 63.6 m170 -71.65 -33.12 68.64 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.312 -1.11 . . . . 0.0 112.12 171.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.0 tp -63.61 -40.54 97.16 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.343 -0.848 . . . . 0.0 112.299 170.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -57.08 -47.73 80.3 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 121.588 -0.695 . . . . 0.0 110.697 171.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 75.5 t -61.0 -40.75 86.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 CA-C-N 118.577 0.626 . . . . 0.0 111.859 177.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -56.87 -46.12 82.04 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.512 0.725 . . . . 0.0 112.002 174.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 94.4 mt -71.08 -41.59 76.27 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 O-C-N 120.782 -1.199 . . . . 0.0 111.238 178.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -64.53 -20.4 66.2 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.339 1.455 . . . . 0.0 113.912 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.8 ptt180 -106.83 -40.69 5.42 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 179.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.4 t -91.47 -44.81 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-N 118.268 0.485 . . . . 0.0 111.432 -174.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -111.67 18.86 18.62 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 -170.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.4 tmmm? . . . . . 0 N--CA 1.47 0.553 0 C-N-CA 125.635 1.574 . . . . 0.0 110.604 177.166 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 . . . . . 0 CA--C 1.538 0.487 0 N-CA-C 111.55 0.204 . . . . 0.0 111.55 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 25.4 p-80 -131.48 148.75 52.67 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.81 0.844 . . . . 0.0 112.568 171.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 53.7 t -69.28 135.82 51.02 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.975 1.31 . . . . 0.0 113.204 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -23.92 66.1 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.73 1.612 . . . . 0.0 113.176 176.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -108.89 -32.53 7.25 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 -168.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.1 p -130.9 2.59 4.39 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 115.397 1.629 . . . . 0.0 115.397 -178.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp 57.61 13.81 2.09 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 126.503 1.921 . . . . 0.0 115.38 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 41.6 tttp -61.03 135.35 57.76 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.266 1.426 . . . . 0.0 110.385 172.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -89.64 142.68 27.46 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.809 0.844 . . . . 0.0 112.448 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -133.19 129.63 38.04 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.036 1.734 . . . . 0.0 111.753 -172.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 26.7 m -78.86 -12.42 60.03 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 114.109 1.152 . . . . 0.0 114.109 -176.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -138.38 136.11 36.0 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.463 1.505 . . . . 0.0 109.588 171.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.3 p -59.58 -36.73 66.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 118.92 -0.562 . . . . 0.0 111.482 173.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -62.81 -36.37 82.96 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.652 1.115 . . . . 0.0 111.991 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -72.73 -31.35 64.89 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 175.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.9 tp -63.05 -40.44 97.7 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 118.31 0.505 . . . . 0.0 112.008 171.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 16.6 mm -61.08 -46.56 96.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 CA-C-N 118.498 0.59 . . . . 0.0 110.206 176.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -59.67 -41.2 90.13 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.425 0.69 . . . . 0.0 111.983 177.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 63.9 t60 -60.19 -44.8 94.8 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.903 0.881 . . . . 0.0 112.822 171.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 63.5 mt -64.08 -43.36 97.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 O-C-N 121.228 -0.92 . . . . 0.0 110.914 176.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -64.29 -23.38 67.28 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 175.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -97.0 -42.67 7.79 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.524 1.13 . . . . 0.0 113.482 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -104.43 -24.86 13.0 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.704 1.202 . . . . 0.0 114.19 -171.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 . . . . . 0 CA--C 1.547 0.849 0 C-N-CA 125.12 1.368 . . . . 0.0 113.257 -172.15 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.6 mttt . . . . . 0 CA--C 1.547 0.853 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.502 ' HD2' ' HA ' ' A' ' 20' ' ' ALA . 38.0 Cg_endo -67.27 -30.88 36.64 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 124.215 3.277 . . . . 0.0 115.244 -177.248 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -81.51 106.58 13.57 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.116 0.566 . . . . 0.0 110.687 -175.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -99.17 149.41 23.1 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.267 1.427 . . . . 0.0 112.294 -175.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.2 t -76.26 133.06 72.12 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 123.688 0.795 . . . . 0.0 109.99 170.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -77.49 -6.98 16.68 Favored 'Trans proline' 0 CA--C 1.542 0.918 0 C-N-CA 123.83 3.02 . . . . 0.0 112.226 172.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -113.49 -28.67 7.45 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.861 1.265 . . . . 0.0 113.128 -170.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.4 p -143.54 -172.94 3.82 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.988 0.915 . . . . 0.0 113.14 175.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.9 p -76.0 0.74 17.5 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.367 1.467 . . . . 0.0 114.681 -177.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -61.16 147.03 45.47 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.169 1.388 . . . . 0.0 114.126 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.24 152.9 37.97 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.291 1.436 . . . . 0.0 111.739 172.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.6 t -147.61 152.72 38.37 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 171.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.502 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -62.11 -14.09 33.3 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 115.833 1.79 . . . . 0.0 115.833 168.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 49.4 mt -127.29 135.06 64.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 124.456 1.102 . . . . 0.0 111.195 -169.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -61.69 -42.57 99.11 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.349 1.06 . . . . 0.0 112.675 176.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.62 -35.99 75.45 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.821 0.848 . . . . 0.0 112.785 175.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -70.5 -26.55 63.65 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.646 -0.658 . . . . 0.0 112.477 175.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.7 tp -74.93 -45.62 41.27 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.342 0.974 . . . . 0.0 111.043 168.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -54.83 -45.36 74.45 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 118.869 0.759 . . . . 0.0 111.732 177.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.44 -35.32 66.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 123.611 0.764 . . . . 0.0 112.375 -176.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -65.61 -41.29 92.89 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.583 1.153 . . . . 0.0 112.668 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.8 mt -59.81 -24.8 64.44 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.807 0.843 . . . . 0.0 112.601 -178.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 . . . . . 0 N--CA 1.471 0.603 0 C-N-CA 124.888 1.275 . . . . 0.0 112.817 178.885 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.463 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.8 t -68.93 140.3 55.1 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 122.223 1.011 . . . . 0.0 111.738 172.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -83.62 -5.3 59.14 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.867 0.867 . . . . 0.0 111.805 173.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -119.86 -26.72 5.56 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.986 1.314 . . . . 0.0 113.475 -170.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 29.2 p -139.88 -176.55 4.62 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.097 0.959 . . . . 0.0 113.214 170.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.1 m -73.42 3.65 5.73 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.281 1.432 . . . . 0.0 113.968 176.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -60.79 145.08 51.08 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.279 1.032 . . . . 0.0 113.212 -179.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 34.2 p -143.7 150.52 38.8 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 125.602 1.561 . . . . 0.0 112.033 172.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.7 t -145.36 164.57 31.06 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.807 1.243 . . . . 0.0 111.584 175.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.4 mp -91.77 12.03 22.7 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.193 1.397 . . . . 0.0 113.322 170.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.9 t -132.26 125.73 31.74 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.179 1.391 . . . . 0.0 112.599 172.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.2 pttt -61.36 -34.11 74.75 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.37 1.468 . . . . 0.0 112.039 169.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.44 -42.6 81.28 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 123.951 0.786 . . . . 0.0 112.489 176.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -70.23 -34.28 72.69 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.579 -0.953 . . . . 0.0 112.157 174.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 61.4 tp -58.9 -43.09 90.95 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 118.954 0.797 . . . . 0.0 111.866 170.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -59.83 -48.79 80.26 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.692 -0.63 . . . . 0.0 110.979 175.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 89.4 t -61.91 -39.37 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 122.891 0.477 . . . . 0.0 111.692 178.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -58.17 -45.02 88.24 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.819 0.848 . . . . 0.0 112.031 175.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 88.3 mt -70.56 -40.73 77.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 O-C-N 120.976 -1.078 . . . . 0.0 111.05 177.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -67.12 -18.51 65.33 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.926 1.29 . . . . 0.0 113.987 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -105.2 -42.04 5.39 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.547 1.139 . . . . 0.0 113.905 178.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 23.7 t -92.36 -44.29 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 CA-C-N 118.188 0.449 . . . . 0.0 111.647 -173.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -110.02 22.09 16.02 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.135 1.374 . . . . 0.0 113.671 -172.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.5 tmmm? . . . . . 0 N--CA 1.469 0.481 0 C-N-CA 125.803 1.641 . . . . 0.0 110.317 172.831 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 . . . . . 0 CA--C 1.544 0.737 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 30.2 p-80 -140.06 153.69 46.85 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 170.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.0 t -75.5 129.98 38.15 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.101 1.76 . . . . 0.0 112.24 178.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.0 -10.97 59.72 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 177.232 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -98.23 -34.49 10.7 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -178.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 23.7 p -131.19 3.34 4.32 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 -177.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt 58.61 14.19 2.97 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 126.587 1.955 . . . . 0.0 115.062 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -67.31 137.67 56.23 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.865 1.266 . . . . 0.0 110.795 174.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -86.39 144.79 27.15 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.07 0.948 . . . . 0.0 112.406 176.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -132.81 143.78 49.78 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.807 2.043 . . . . 0.0 110.978 -175.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 48.8 m -95.76 1.57 53.39 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -175.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -152.06 145.2 24.6 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 125.302 1.441 . . . . 0.0 109.775 168.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.6 p -63.68 -39.14 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 CA-C-O 118.773 -0.632 . . . . 0.0 111.995 176.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -65.92 -34.02 77.17 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 120.01 1.277 . . . . 0.0 111.548 179.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -70.44 -33.06 70.87 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 173.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.34 -40.74 97.36 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.777 -0.577 . . . . 0.0 111.906 170.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 15.7 mm -62.32 -45.05 99.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 O-C-N 121.581 -0.699 . . . . 0.0 110.61 175.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -59.45 -40.88 88.29 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.241 0.616 . . . . 0.0 111.778 177.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -60.07 -46.61 88.98 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.859 0.864 . . . . 0.0 112.874 170.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 57.9 mt -61.75 -43.84 97.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-N 118.923 0.783 . . . . 0.0 110.768 177.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -63.09 -23.27 67.36 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 176.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -97.08 -43.88 7.22 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.456 1.102 . . . . 0.0 113.557 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -103.27 -25.93 13.15 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.018 1.327 . . . . 0.0 114.226 -171.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 . . . . . 0 CA--C 1.549 0.912 0 C-N-CA 125.844 1.658 . . . . 0.0 111.746 -175.805 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.9 mtmt . . . . . 0 N--CA 1.48 1.049 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -60.92 -28.4 86.28 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 124.929 3.753 . . . . 0.0 115.478 -173.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -87.29 103.33 15.36 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.321 0.648 . . . . 0.0 111.068 -178.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -100.11 149.81 23.13 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.569 1.548 . . . . 0.0 112.002 -178.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.1 t -75.71 136.91 70.41 Favored Pre-proline 0 CA--C 1.547 0.841 0 C-N-CA 124.294 1.038 . . . . 0.0 110.621 170.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -77.89 -10.61 16.78 Favored 'Trans proline' 0 CA--C 1.541 0.843 0 C-N-CA 123.842 3.028 . . . . 0.0 112.465 174.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -112.22 -26.65 8.69 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -173.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.7 p -142.05 -176.26 4.73 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 176.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.9 p -73.9 0.45 13.35 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.339 1.455 . . . . 0.0 114.532 -178.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -60.2 144.83 49.15 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.795 1.238 . . . . 0.0 113.81 178.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.43 156.13 40.89 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.711 1.204 . . . . 0.0 112.091 169.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.4 t -146.67 164.74 31.72 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.816 1.246 . . . . 0.0 112.667 173.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.21 -3.86 57.83 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.212 1.405 . . . . 0.0 114.442 173.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 61.4 mt -130.96 134.12 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.131 1.373 . . . . 0.0 109.97 -171.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -66.35 -37.95 86.49 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.405 -0.81 . . . . 0.0 112.914 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.47 -35.75 70.58 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.444 0.698 . . . . 0.0 112.701 175.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -68.56 -38.89 81.13 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.63 0.772 . . . . 0.0 111.872 173.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.8 tp -65.2 -45.61 84.1 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.054 -1.029 . . . . 0.0 111.826 171.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -55.05 -45.43 75.29 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.96 0.8 . . . . 0.0 111.34 176.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.5 -36.99 68.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 123.219 0.608 . . . . 0.0 112.396 -177.089 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -62.67 -41.21 98.95 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.224 1.01 . . . . 0.0 112.789 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 65.4 mt -58.22 -26.69 63.14 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.938 0.895 . . . . 0.0 112.805 -177.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.9 mtp85 . . . . . 0 N--CA 1.474 0.774 0 C-N-CA 125.186 1.395 . . . . 0.0 113.635 -179.298 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.597 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.8 t -67.94 143.73 55.52 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 122.252 1.025 . . . . 0.0 112.118 170.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -83.43 -7.24 59.59 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.004 0.922 . . . . 0.0 112.003 175.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -118.64 -27.25 5.93 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.595 1.158 . . . . 0.0 113.463 -172.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.1 p -139.56 -179.33 5.84 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 173.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.8 m -73.31 5.02 3.92 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.271 1.428 . . . . 0.0 114.086 177.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 94.1 t80 -60.87 146.61 45.89 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 124.165 0.986 . . . . 0.0 112.593 178.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.4 p -138.9 152.82 48.08 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 124.975 1.31 . . . . 0.0 111.937 170.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 10.5 t -140.55 153.86 46.3 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.344 1.057 . . . . 0.0 111.914 -176.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -88.08 0.39 56.04 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.091 1.356 . . . . 0.0 112.505 171.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.1 t -131.09 122.79 27.33 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.852 1.661 . . . . 0.0 111.575 174.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -60.04 -31.37 69.91 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.748 1.219 . . . . 0.0 112.947 171.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -77.44 -37.71 30.59 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.241 0.924 . . . . 0.0 112.818 -178.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -72.58 -33.38 66.71 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 118.875 1.337 . . . . 0.0 111.143 172.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.2 tp -57.34 -37.51 72.67 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.188 -0.945 . . . . 0.0 112.415 173.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 65.6 tttt -60.28 -49.18 78.61 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.455 -0.778 . . . . 0.0 110.408 171.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.0 t -59.11 -42.52 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 CA-C-N 118.759 0.709 . . . . 0.0 112.071 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -54.14 -42.65 69.78 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.978 0.911 . . . . 0.0 111.936 173.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 81.4 mt -71.6 -40.36 70.98 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 O-C-N 120.877 -1.139 . . . . 0.0 111.15 174.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -63.55 -20.26 65.48 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.621 1.169 . . . . 0.0 114.097 178.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -108.82 -39.42 5.34 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.801 1.24 . . . . 0.0 113.906 -177.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.3 t -93.63 -42.57 13.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-N 118.049 0.386 . . . . 0.0 111.744 -175.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -116.34 18.29 15.27 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 115.213 1.56 . . . . 0.0 115.213 -169.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.7 tmmm? . . . . . 0 N--CA 1.472 0.664 0 C-N-CA 125.043 1.337 . . . . 0.0 111.523 -177.428 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 . . . . . 0 CA--C 1.538 0.511 0 N-CA-C 110.711 -0.107 . . . . 0.0 110.711 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 43.9 p-80 -140.54 148.8 41.57 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.265 -0.897 . . . . 0.0 113.264 169.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 51.7 t -77.69 125.58 29.55 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.369 1.468 . . . . 0.0 109.95 169.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.45 -18.48 59.87 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 176.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -85.52 -34.6 21.51 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.91 0.884 . . . . 0.0 113.365 -174.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.0 p -128.69 3.98 5.5 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm 60.73 15.68 6.05 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 126.832 2.053 . . . . 0.0 115.103 177.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -69.99 140.79 52.98 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.159 1.784 . . . . 0.0 111.365 175.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -95.42 146.16 24.61 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.251 1.021 . . . . 0.0 111.431 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -134.22 130.09 36.67 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.502 1.521 . . . . 0.0 112.193 -171.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 55.4 p -81.97 -14.47 55.99 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.487 1.515 . . . . 0.0 113.922 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -137.47 134.69 36.07 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 125.524 1.53 . . . . 0.0 109.976 172.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.6 p -60.27 -35.98 65.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 118.956 -0.545 . . . . 0.0 111.481 173.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -62.24 -37.53 85.77 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 119.531 1.06 . . . . 0.0 111.892 179.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -72.34 -30.81 65.09 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 174.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.9 tp -62.1 -42.63 99.41 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 118.782 0.719 . . . . 0.0 111.565 170.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 12.8 mm -61.86 -48.07 90.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-N 118.722 0.692 . . . . 0.0 110.486 177.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -59.03 -40.79 86.1 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.901 0.88 . . . . 0.0 112.113 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -61.61 -46.32 90.31 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.203 1.001 . . . . 0.0 112.924 171.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 58.9 mt -62.52 -42.48 95.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 CA-C-N 119.121 0.873 . . . . 0.0 110.726 176.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -63.19 -24.52 67.92 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 175.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -97.27 -45.1 6.63 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.727 1.211 . . . . 0.0 113.421 -179.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -99.73 -26.08 14.17 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.043 1.337 . . . . 0.0 114.024 -172.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 59.2 m-70 . . . . . 0 CA--C 1.546 0.799 0 C-N-CA 125.133 1.373 . . . . 0.0 113.215 -170.688 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.0 mttt . . . . . 0 CA--C 1.547 0.854 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.483 ' HD2' ' HA ' ' A' ' 20' ' ' ALA . 57.0 Cg_endo -72.99 -30.54 10.8 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 124.199 3.266 . . . . 0.0 115.228 -178.418 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -81.96 104.25 12.18 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.066 0.546 . . . . 0.0 110.875 -173.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -93.11 149.68 21.05 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.03 1.332 . . . . 0.0 112.351 -174.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.4 t -77.74 132.32 68.59 Favored Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 123.743 0.817 . . . . 0.0 109.537 169.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -77.24 -6.11 16.23 Favored 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 123.821 3.014 . . . . 0.0 112.278 173.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -115.34 -27.67 7.15 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.844 1.257 . . . . 0.0 113.359 -169.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.8 p -144.5 -174.6 4.36 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.85 0.86 . . . . 0.0 113.234 174.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.0 m -72.63 -0.08 12.01 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.344 1.458 . . . . 0.0 114.617 -177.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -62.34 145.67 53.23 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.955 1.302 . . . . 0.0 113.871 -178.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -144.47 149.61 36.27 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.574 1.55 . . . . 0.0 110.878 172.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.4 p -143.92 143.2 31.16 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.619 1.167 . . . . 0.0 113.37 -174.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.483 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -67.3 -13.72 62.25 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 116.209 1.929 . . . . 0.0 116.209 171.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 65.8 mt -137.12 131.29 45.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.091 1.357 . . . . 0.0 109.802 -169.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -62.42 -35.71 80.1 Favored 'General case' 0 N--CA 1.479 0.975 0 O-C-N 121.314 -0.866 . . . . 0.0 113.171 178.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.13 -35.54 71.65 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.039 0.836 . . . . 0.0 112.61 172.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 -74.75 -23.36 58.54 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.643 0.777 . . . . 0.0 112.452 175.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.4 tp -76.28 -46.65 26.92 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.299 -0.876 . . . . 0.0 111.097 167.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -54.08 -44.43 71.18 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.794 0.838 . . . . 0.0 111.413 178.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.91 -34.96 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 123.687 0.795 . . . . 0.0 112.484 -178.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -66.92 -39.89 87.5 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.691 1.196 . . . . 0.0 112.748 -179.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.7 mt -60.05 -22.67 62.97 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.991 0.917 . . . . 0.0 113.189 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 . . . . . 0 N--CA 1.475 0.813 0 C-N-CA 125.271 1.428 . . . . 0.0 114.026 -177.675 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.444 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.5 t -68.52 141.3 55.58 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 122.013 0.911 . . . . 0.0 111.683 172.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -84.54 -4.84 59.18 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.822 0.849 . . . . 0.0 111.795 173.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -119.87 -26.79 5.54 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.984 1.314 . . . . 0.0 113.458 -170.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.9 p -139.1 -175.52 4.19 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.423 1.089 . . . . 0.0 112.896 169.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.0 p -76.52 5.12 7.84 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.496 1.518 . . . . 0.0 114.299 177.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -61.67 146.79 48.02 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.807 1.243 . . . . 0.0 113.253 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 79.7 p -140.59 155.85 46.45 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.355 1.462 . . . . 0.0 112.174 169.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.5 t -146.11 157.08 43.83 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.93 0.892 . . . . 0.0 112.408 177.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.33 -3.6 58.89 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.416 1.486 . . . . 0.0 114.098 179.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.3 m -134.01 134.48 42.5 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.407 1.483 . . . . 0.0 111.81 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -69.65 -34.72 74.41 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.474 1.11 . . . . 0.0 112.901 -175.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -66.59 -32.76 82.47 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 123.737 0.684 . . . . 0.0 113.253 173.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -74.16 -32.48 63.13 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.294 -1.121 . . . . 0.0 112.091 174.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.62 -43.99 97.83 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.032 0.833 . . . . 0.0 110.987 169.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -56.17 -50.77 70.23 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 118.886 -0.578 . . . . 0.0 111.055 173.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.8 t -60.1 -39.93 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-N 118.775 0.716 . . . . 0.0 111.886 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -57.31 -47.01 82.62 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.257 0.623 . . . . 0.0 112.083 175.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.3 mt -70.29 -40.63 78.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 O-C-N 120.909 -1.119 . . . . 0.0 110.98 178.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -69.0 -12.46 61.7 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.649 1.58 . . . . 0.0 114.403 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -111.65 -40.69 4.25 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 174.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.8 t -90.83 -46.68 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-N 118.329 0.513 . . . . 0.0 111.384 -173.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -108.32 18.84 20.59 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.989 1.316 . . . . 0.0 114.385 -173.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.471 0.576 0 C-N-CA 125.479 1.511 . . . . 0.0 111.021 -176.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 44.1 mm-40 . . . . . 0 N--CA 1.473 0.724 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 42.6 p-80 -131.72 145.13 51.46 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 173.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.1 t -76.02 124.08 26.8 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.543 1.537 . . . . 0.0 109.007 168.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.83 -14.27 59.62 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 175.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -89.32 -36.34 15.6 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.144 0.978 . . . . 0.0 113.001 -177.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.269 16.7 p -129.86 10.62 5.53 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 116.1 1.889 . . . . 0.0 116.1 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.0 mmtt 59.54 13.23 3.2 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 127.498 2.319 . . . . 0.0 115.212 172.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 35.8 mttp -72.76 141.55 48.12 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 127.193 2.197 . . . . 0.0 111.473 176.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 63.0 mtpt -96.64 142.6 28.49 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.144 0.978 . . . . 0.0 111.752 175.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -125.9 141.86 51.78 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.911 1.684 . . . . 0.0 113.039 -169.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 49.2 p -75.73 -20.49 58.29 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.306 1.842 . . . . 0.0 114.724 -172.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -151.67 143.86 23.98 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.887 2.075 . . . . 0.0 107.676 178.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.6 p -56.97 -37.09 52.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 O-C-N 121.56 -0.713 . . . . 0.0 111.25 171.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -62.84 -34.95 78.41 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.485 1.039 . . . . 0.0 112.269 178.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -72.61 -34.87 67.66 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.355 0.662 . . . . 0.0 111.622 175.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.3 tp -61.55 -40.75 95.82 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.448 0.699 . . . . 0.0 112.015 173.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 13.3 mm -61.56 -46.58 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 O-C-N 121.695 -0.628 . . . . 0.0 110.407 177.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -61.75 -40.75 96.22 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.263 0.625 . . . . 0.0 111.887 178.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 64.6 t60 -58.59 -45.1 89.81 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.881 0.872 . . . . 0.0 112.666 170.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 50.0 mt -63.17 -44.24 99.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 O-C-N 121.374 -0.829 . . . . 0.0 111.05 176.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -66.0 -21.8 66.42 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 177.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -97.11 -40.66 8.71 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.62 1.168 . . . . 0.0 113.687 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.23 -25.27 11.58 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -172.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 . . . . . 0 CA--C 1.545 0.759 0 C-N-CA 125.31 1.444 . . . . 0.0 113.249 -173.65 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.5 mttp . . . . . 0 CA--C 1.54 0.584 0 CA-C-O 119.908 -0.091 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 20' ' ' ALA . 57.8 Cg_endo -68.57 -27.97 32.16 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.688 2.925 . . . . 0.0 114.172 -178.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -86.97 93.09 9.25 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 121.71 0.767 . . . . 0.0 111.656 -171.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -88.21 149.19 24.0 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.768 2.027 . . . . 0.0 112.464 -177.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.1 t -77.71 136.39 63.32 Favored Pre-proline 0 CA--C 1.548 0.887 0 C-N-CA 124.758 1.223 . . . . 0.0 110.227 169.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -78.69 -9.45 15.86 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 123.884 3.056 . . . . 0.0 112.265 173.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -110.1 -28.96 8.42 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.345 1.058 . . . . 0.0 113.453 -172.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.6 p -142.24 -175.63 4.51 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.791 0.836 . . . . 0.0 113.076 177.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.2 p -74.04 0.03 14.96 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.288 1.435 . . . . 0.0 114.707 -178.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -61.22 145.53 50.88 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.044 1.338 . . . . 0.0 114.035 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.21 152.72 35.05 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.212 1.405 . . . . 0.0 111.344 169.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.5 t -143.43 149.63 37.89 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 173.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.424 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -67.51 -11.21 57.44 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.331 1.852 . . . . 0.0 115.111 167.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.9 mt -120.14 129.44 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.678 1.191 . . . . 0.0 109.638 -179.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -72.88 -30.51 64.01 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 121.204 -0.935 . . . . 0.0 112.395 -177.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.4 -35.11 76.6 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 121.102 -0.999 . . . . 0.0 112.162 169.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -70.77 -18.55 62.76 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.564 0.746 . . . . 0.0 112.985 173.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.0 tp -80.35 -41.8 24.1 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.165 -0.959 . . . . 0.0 111.321 167.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -65.34 -38.46 90.17 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.088 -1.007 . . . . 0.0 112.293 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.2 p -65.86 -32.07 56.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 123.634 0.774 . . . . 0.0 112.445 173.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -75.33 -35.47 61.2 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.84 0.856 . . . . 0.0 112.633 -173.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 72.6 mt -62.76 -21.47 65.87 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.65 0.78 . . . . 0.0 112.607 176.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 . . . . . 0 N--CA 1.476 0.849 0 C-N-CA 124.523 1.129 . . . . 0.0 112.153 174.603 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.505 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.4 t -66.15 143.26 57.39 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 122.191 0.996 . . . . 0.0 111.866 171.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -81.82 -6.35 58.99 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.88 0.872 . . . . 0.0 112.075 175.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -121.26 -27.02 4.95 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.477 1.111 . . . . 0.0 113.619 -171.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.5 p -139.56 -178.82 5.57 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.138 0.975 . . . . 0.0 113.295 172.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.9 m -73.51 4.55 4.72 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.157 1.383 . . . . 0.0 113.997 177.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -61.5 148.4 42.12 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 124.522 1.129 . . . . 0.0 113.084 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.3 p -141.77 152.46 43.79 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 125.223 1.409 . . . . 0.0 112.211 173.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 10.1 t -149.17 156.58 42.38 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.301 1.041 . . . . 0.0 112.138 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 88.6 mt -88.64 -7.26 56.67 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.698 1.199 . . . . 0.0 113.815 174.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.8 t -117.78 128.25 54.69 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.616 1.167 . . . . 0.0 111.21 175.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -67.9 -32.85 73.62 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.614 1.165 . . . . 0.0 111.415 176.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.4 -42.97 80.43 Favored Glycine 0 CA--C 1.531 1.07 0 C-N-CA 124.551 1.072 . . . . 0.0 112.705 173.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -69.3 -33.23 72.86 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.454 1.127 . . . . 0.0 112.237 175.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 70.0 tp -64.98 -40.59 95.19 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.948 0.795 . . . . 0.0 112.169 170.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.6 tttt -57.62 -50.55 72.77 Favored 'General case' 0 C--N 1.341 0.231 0 O-C-N 121.516 -0.74 . . . . 0.0 109.763 171.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.7 t -58.6 -41.27 81.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 CA-C-N 119.104 0.865 . . . . 0.0 112.206 178.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -55.34 -46.65 76.38 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.499 0.72 . . . . 0.0 112.07 174.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 87.7 mt -71.57 -40.06 70.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 O-C-N 120.812 -1.18 . . . . 0.0 111.468 178.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -68.56 -12.91 61.92 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.568 1.547 . . . . 0.0 113.547 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.7 ptt180 -114.21 -42.92 3.27 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.936 1.294 . . . . 0.0 114.403 176.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 40.4 t -88.06 -45.94 15.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-N 118.433 0.56 . . . . 0.0 110.995 -173.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -104.97 19.55 20.39 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.22 1.408 . . . . 0.0 113.593 -175.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? . . . . . 0 CA--C 1.538 0.497 0 C-N-CA 125.203 1.401 . . . . 0.0 111.326 171.742 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 . . . . . 0 CA--C 1.54 0.562 0 N-CA-C 111.281 0.104 . . . . 0.0 111.281 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 46.3 p-80 -141.63 149.46 40.71 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 172.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 44.9 t -78.74 127.94 32.75 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.924 1.69 . . . . 0.0 110.495 169.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.41 -15.81 59.16 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 176.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -87.93 -35.33 17.74 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.704 0.802 . . . . 0.0 113.148 -175.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 25.8 p -130.09 3.33 4.8 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 -178.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.2 mptt 61.0 18.28 8.76 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 126.411 1.884 . . . . 0.0 114.012 176.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -72.13 137.39 46.97 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.419 1.488 . . . . 0.0 110.841 173.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -88.83 145.16 25.74 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.81 0.844 . . . . 0.0 112.341 175.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -132.1 133.55 44.45 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.09 1.756 . . . . 0.0 110.555 -176.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.4 m -87.52 -4.98 58.98 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 -175.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -142.04 142.61 32.89 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 125.586 1.554 . . . . 0.0 108.757 169.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.9 p -59.95 -36.24 65.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 119.063 -0.494 . . . . 0.0 110.639 170.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -52.91 -45.17 67.46 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.022 0.929 . . . . 0.0 112.795 178.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -78.94 -23.72 44.44 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.63 -43.34 97.12 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 119.187 0.903 . . . . 0.0 111.345 169.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.3 mm -61.12 -47.73 92.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 CA-C-N 118.489 0.586 . . . . 0.0 110.271 176.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -57.86 -42.89 85.46 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.67 1.188 . . . . 0.0 112.001 177.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -60.77 -45.17 95.39 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 124.516 1.126 . . . . 0.0 112.906 172.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 58.6 mt -63.26 -42.63 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 O-C-N 121.331 -0.855 . . . . 0.0 110.799 176.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 77.3 mtp85 -64.63 -23.56 67.3 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 175.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -97.06 -41.9 8.14 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.526 1.131 . . . . 0.0 113.516 -178.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -106.04 -24.77 12.31 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.818 1.247 . . . . 0.0 114.168 -171.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 . . . . . 0 CA--C 1.546 0.811 0 C-N-CA 125.154 1.382 . . . . 0.0 113.321 -172.527 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.6 mttt . . . . . 0 CA--C 1.547 0.86 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.498 ' HD2' ' HA ' ' A' ' 20' ' ' ALA . 32.1 Cg_endo -65.63 -31.86 49.01 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 124.251 3.301 . . . . 0.0 115.577 -176.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -81.15 108.58 14.92 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.15 0.58 . . . . 0.0 110.779 -175.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -101.72 149.59 24.0 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.375 1.47 . . . . 0.0 112.615 -174.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.7 t -76.83 136.37 66.9 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 123.88 0.872 . . . . 0.0 110.51 170.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -77.65 -11.07 17.09 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 123.859 3.039 . . . . 0.0 112.461 174.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -112.69 -26.19 8.73 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -173.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.2 p -142.01 -176.83 4.94 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 176.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.3 p -73.25 0.7 11.13 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.307 1.443 . . . . 0.0 114.546 -178.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -60.56 144.83 50.71 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.02 1.328 . . . . 0.0 113.864 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.75 153.91 38.84 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.353 1.461 . . . . 0.0 111.584 172.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.5 t -148.72 152.36 36.5 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 170.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.498 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -62.03 -14.39 35.39 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 115.27 1.581 . . . . 0.0 115.27 168.206 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.1 mt -125.1 133.28 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.558 1.143 . . . . 0.0 111.075 -170.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -63.6 -39.57 94.72 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.229 1.012 . . . . 0.0 112.922 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.27 -34.41 75.13 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.911 0.884 . . . . 0.0 113.052 175.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -68.28 -37.9 81.16 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.494 -0.754 . . . . 0.0 111.572 173.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.2 tp -64.28 -45.98 85.66 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.158 -0.964 . . . . 0.0 111.625 170.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -54.97 -45.55 74.96 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.169 0.895 . . . . 0.0 111.913 177.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.32 -35.75 64.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 123.15 0.58 . . . . 0.0 112.239 -176.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -64.61 -41.24 96.33 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.224 1.009 . . . . 0.0 112.734 179.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.8 mt -59.86 -21.71 61.33 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.319 1.048 . . . . 0.0 113.214 -178.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 . . . . . 0 N--CA 1.475 0.788 0 C-N-CA 124.834 1.254 . . . . 0.0 113.375 179.425 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.563 0 N-CA-C 113.178 0.806 . . . . 0.0 113.178 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.9 t -66.77 142.43 57.38 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 122.133 0.968 . . . . 0.0 111.764 171.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -82.14 -5.9 58.79 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.844 0.858 . . . . 0.0 111.992 175.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -120.88 -26.93 5.11 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.58 1.152 . . . . 0.0 113.683 -170.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.1 p -139.34 -177.06 4.76 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.033 0.933 . . . . 0.0 113.275 171.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.6 p -74.51 3.68 7.24 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.491 1.516 . . . . 0.0 114.206 176.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -60.05 147.51 38.97 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 124.37 1.068 . . . . 0.0 113.023 178.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 38.2 p -142.19 151.15 41.9 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 125.422 1.489 . . . . 0.0 111.843 173.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.6 t -148.67 151.45 34.96 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.045 0.938 . . . . 0.0 111.689 174.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -82.13 -8.93 59.67 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.463 1.105 . . . . 0.0 112.883 173.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.3 m -118.89 111.26 18.16 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.557 1.543 . . . . 0.0 111.249 177.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.1 pttt -58.24 -33.11 68.99 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.938 1.295 . . . . 0.0 113.732 177.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.96 -36.9 92.67 Favored Glycine 0 CA--C 1.536 1.404 0 O-C-N 122.043 -0.411 . . . . 0.0 113.23 175.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -72.95 -35.35 66.95 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.464 1.132 . . . . 0.0 111.941 172.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 62.4 tp -61.26 -39.09 89.07 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 118.675 0.671 . . . . 0.0 112.243 172.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -59.52 -50.09 75.24 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 121.522 -0.736 . . . . 0.0 110.197 172.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 89.0 t -60.15 -39.0 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 118.516 0.598 . . . . 0.0 112.026 177.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 67.9 t60 -57.57 -44.58 85.42 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.813 0.845 . . . . 0.0 112.048 174.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.3 mt -72.36 -38.43 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 O-C-N 120.808 -1.183 . . . . 0.0 111.157 176.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -69.48 -12.66 61.84 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.961 1.304 . . . . 0.0 113.541 178.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.1 ptt180 -112.53 -42.23 3.7 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.953 1.301 . . . . 0.0 114.06 177.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.8 t -90.66 -46.89 14.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 122.81 0.444 . . . . 0.0 111.33 -174.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -107.64 18.36 21.51 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.109 1.364 . . . . 0.0 113.978 -171.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? . . . . . 0 N--CA 1.469 0.503 0 C-N-CA 125.732 1.613 . . . . 0.0 111.232 -177.896 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 18.7 mm100 . . . . . 0 CA--C 1.539 0.525 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 37.9 p-80 -133.43 147.09 51.7 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 43.5 t -73.92 126.33 30.21 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.682 1.593 . . . . 0.0 109.439 169.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.96 -7.7 59.63 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 175.174 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -96.88 -34.78 11.13 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.179 0.992 . . . . 0.0 112.888 -178.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.274 17.4 p -131.74 11.16 4.77 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 116.273 1.953 . . . . 0.0 116.273 179.436 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm 57.01 19.73 4.87 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 126.976 2.11 . . . . 0.0 115.156 173.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.1 mttp -77.6 141.27 39.59 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 127.216 2.207 . . . . 0.0 111.404 176.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -98.02 143.17 28.86 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.347 1.059 . . . . 0.0 112.494 177.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -135.55 114.55 12.16 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.534 1.934 . . . . 0.0 110.596 -173.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.8 m -75.12 -7.68 54.45 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.841 1.257 . . . . 0.0 114.2 -178.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -133.72 120.36 20.47 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.687 1.595 . . . . 0.0 109.153 174.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.0 p -63.27 -35.88 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 O-C-N 121.778 -0.577 . . . . 0.0 112.35 -173.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -58.29 -34.37 70.47 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.145 0.884 . . . . 0.0 112.349 177.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -77.09 -29.12 54.8 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.181 0.592 . . . . 0.0 112.348 176.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.19 -43.4 98.92 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 118.836 0.744 . . . . 0.0 110.987 169.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 15.7 mm -61.29 -46.72 96.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 O-C-N 121.926 -0.484 . . . . 0.0 110.481 176.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -60.09 -44.44 94.82 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.077 0.551 . . . . 0.0 111.465 178.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -58.14 -42.42 85.81 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.584 1.154 . . . . 0.0 113.059 173.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 52.1 mt -64.56 -43.48 96.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 O-C-N 121.329 -0.857 . . . . 0.0 110.745 175.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -68.4 -22.81 64.61 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 115.11 1.522 . . . . 0.0 115.11 174.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -86.93 -45.23 11.01 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.301 1.041 . . . . 0.0 112.528 178.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.58 -25.55 11.3 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 -171.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 . . . . . 0 CA--C 1.545 0.784 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 -169.48 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.3 mttt . . . . . 0 N--CA 1.481 1.107 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -60.66 -29.49 88.53 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 124.519 3.479 . . . . 0.0 114.543 -174.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -92.53 101.8 14.24 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.356 0.662 . . . . 0.0 111.233 -173.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -97.98 150.52 21.28 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.862 1.665 . . . . 0.0 111.785 -177.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.3 t -76.42 136.55 68.18 Favored Pre-proline 0 CA--C 1.548 0.869 0 C-N-CA 124.162 0.985 . . . . 0.0 110.213 169.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -77.57 -10.39 17.24 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 123.882 3.055 . . . . 0.0 112.426 175.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -113.98 -25.94 8.34 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -172.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.7 p -142.57 -178.61 5.85 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.588 0.959 . . . . 0.0 113.588 177.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.7 m -70.98 -0.31 9.07 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.358 1.463 . . . . 0.0 114.594 -176.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -61.28 143.43 55.68 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.021 1.328 . . . . 0.0 113.686 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.7 153.74 36.13 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.141 1.376 . . . . 0.0 111.109 169.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.1 t -145.61 161.59 39.46 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.132 0.973 . . . . 0.0 112.742 175.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.92 1.46 55.37 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.371 1.468 . . . . 0.0 113.403 171.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 57.9 mt -126.23 118.17 50.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 125.353 1.461 . . . . 0.0 108.998 178.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.0 pttt -69.19 -25.03 64.13 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -178.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.62 -30.7 71.72 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.152 0.581 . . . . 0.0 112.397 168.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -71.39 -39.03 71.44 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.951 0.9 . . . . 0.0 110.766 173.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.82 -46.21 91.42 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.298 -0.876 . . . . 0.0 111.862 169.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -55.24 -46.02 76.03 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.36 0.982 . . . . 0.0 111.773 175.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.29 -35.46 62.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 123.175 0.59 . . . . 0.0 112.466 -176.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -64.57 -41.85 96.03 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.64 1.176 . . . . 0.0 112.716 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.6 mt -58.85 -23.15 60.36 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.4 1.08 . . . . 0.0 113.361 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.3 mtp-105 . . . . . 0 N--CA 1.474 0.752 0 C-N-CA 125.127 1.371 . . . . 0.0 114.047 -178.895 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.43 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.4 t -68.44 139.57 55.75 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 122.131 0.967 . . . . 0.0 111.513 172.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -83.51 -6.43 59.45 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.714 0.806 . . . . 0.0 111.732 172.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -116.67 -26.53 6.97 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.099 1.36 . . . . 0.0 113.101 -170.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.5 p -141.06 -173.17 3.65 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.468 1.107 . . . . 0.0 112.826 169.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.8 p -76.69 3.93 10.6 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.597 1.559 . . . . 0.0 114.31 176.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -60.79 147.09 43.78 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.281 1.032 . . . . 0.0 113.368 -179.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.2 p -144.35 150.42 37.75 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.491 1.516 . . . . 0.0 112.413 173.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 10.3 t -143.83 157.9 44.06 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.404 1.082 . . . . 0.0 111.824 172.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -83.26 -0.84 51.37 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.669 1.188 . . . . 0.0 113.287 176.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 64.4 m -133.4 129.67 37.66 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.203 1.401 . . . . 0.0 112.134 178.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -60.18 -36.49 77.73 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.238 1.415 . . . . 0.0 114.125 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.4 -34.42 79.66 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 123.176 0.417 . . . . 0.0 112.848 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 53.7 m170 -71.65 -33.72 69.15 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.248 -1.148 . . . . 0.0 112.125 172.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 54.6 tp -61.54 -43.49 98.76 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 118.797 0.726 . . . . 0.0 111.52 169.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.3 tttp -57.35 -52.25 66.1 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 118.548 -0.739 . . . . 0.0 110.11 173.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.7 t -58.27 -40.05 76.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 CA-C-N 119.146 0.885 . . . . 0.0 112.213 178.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -58.22 -46.09 86.5 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.291 0.637 . . . . 0.0 112.446 174.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 80.0 mt -70.77 -38.04 71.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 O-C-N 120.795 -1.19 . . . . 0.0 111.052 177.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -69.75 -11.61 60.99 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.53 1.532 . . . . 0.0 113.639 179.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.4 ptt180 -114.07 -41.47 3.52 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.917 1.287 . . . . 0.0 113.722 177.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.9 t -91.23 -47.81 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 122.952 0.501 . . . . 0.0 111.341 -174.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -106.1 17.62 23.27 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.0 1.32 . . . . 0.0 113.949 -172.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? . . . . . 0 CA--C 1.538 0.504 0 C-N-CA 126.198 1.799 . . . . 0.0 111.358 178.862 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 . . . . . 0 CA--C 1.535 0.376 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 36.2 p-80 -140.22 141.94 35.87 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -171.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 43.1 t -67.24 140.13 57.38 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.908 1.283 . . . . 0.0 112.497 178.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.97 -22.97 52.39 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.84 1.656 . . . . 0.0 113.039 176.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -108.42 -33.13 7.17 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -167.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 22.4 p -127.55 3.45 6.19 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp 57.98 17.81 4.65 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.628 1.971 . . . . 0.0 115.046 178.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -67.56 137.66 55.88 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.466 1.506 . . . . 0.0 110.878 175.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -90.48 144.73 25.5 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.148 0.979 . . . . 0.0 111.532 176.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -130.88 131.86 44.79 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.122 1.369 . . . . 0.0 112.478 -173.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.3 m -76.11 -21.25 56.87 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.441 1.096 . . . . 0.0 113.803 -177.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -136.88 131.04 32.61 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.992 1.717 . . . . 0.0 109.681 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.81 -36.78 78.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 121.74 -0.6 . . . . 0.0 112.516 -174.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -61.18 -33.52 73.57 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 121.199 -0.938 . . . . 0.0 112.254 178.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -76.34 -26.25 55.56 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 174.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.2 tp -64.92 -42.52 94.64 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 119.286 0.948 . . . . 0.0 110.938 169.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 16.0 mm -61.9 -48.44 88.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 O-C-N 121.906 -0.497 . . . . 0.0 110.155 175.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -57.19 -43.03 82.3 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.456 1.102 . . . . 0.0 111.952 177.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -59.59 -44.29 93.4 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.54 1.136 . . . . 0.0 112.844 172.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 59.5 mt -63.12 -44.8 99.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 O-C-N 121.311 -0.868 . . . . 0.0 110.848 175.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -65.48 -25.07 67.32 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 177.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -93.64 -42.04 9.4 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.577 1.151 . . . . 0.0 113.696 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -104.89 -24.46 12.86 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 -171.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 . . . . . 0 CA--C 1.546 0.826 0 C-N-CA 125.011 1.324 . . . . 0.0 113.451 -171.711 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.9 mttt . . . . . 0 N--CA 1.481 1.108 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -62.14 -30.94 82.87 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 124.389 3.393 . . . . 0.0 115.494 -177.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -84.75 102.99 13.45 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.332 0.653 . . . . 0.0 111.257 -175.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -98.91 150.08 22.28 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.746 1.618 . . . . 0.0 112.461 -177.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.1 t -77.26 136.36 65.25 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 124.493 1.117 . . . . 0.0 110.419 170.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -78.16 -10.33 16.44 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 123.838 3.025 . . . . 0.0 112.319 174.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -113.21 -25.83 8.7 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -172.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.9 p -142.88 -177.84 5.52 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 175.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.8 m -71.61 0.75 7.88 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.242 1.417 . . . . 0.0 114.435 -177.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -62.07 144.39 55.32 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.953 1.301 . . . . 0.0 114.014 -179.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.38 153.68 38.9 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.841 1.256 . . . . 0.0 111.751 169.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.8 t -146.39 168.77 20.31 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.688 1.195 . . . . 0.0 112.362 173.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.32 0.44 56.81 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.368 1.467 . . . . 0.0 114.451 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 45.3 mt -135.19 136.76 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.278 1.431 . . . . 0.0 110.225 -171.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -61.47 -43.08 99.5 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.62 1.168 . . . . 0.0 112.486 176.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.73 -34.54 74.56 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.859 0.864 . . . . 0.0 113.041 175.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 -71.05 -19.84 62.44 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 175.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.9 tp -82.19 -40.45 21.71 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.412 -0.805 . . . . 0.0 111.074 167.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -62.71 -42.81 99.84 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 120.924 -1.11 . . . . 0.0 112.084 178.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.2 p -62.79 -31.06 50.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 175.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -77.9 -40.56 39.42 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.813 0.845 . . . . 0.0 111.924 -175.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.1 mt -61.71 -21.48 64.52 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.207 1.003 . . . . 0.0 112.937 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.7 mtp-105 . . . . . 0 N--CA 1.479 1.014 0 C-N-CA 125.721 1.608 . . . . 0.0 113.335 175.788 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.515 0 N-CA-C 111.944 0.349 . . . . 0.0 111.944 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.5 t -64.17 142.71 58.32 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 122.239 1.018 . . . . 0.0 111.489 171.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -80.55 -4.95 55.92 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.68 0.792 . . . . 0.0 112.089 176.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -123.72 -26.62 4.11 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.581 1.152 . . . . 0.0 113.814 -170.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.9 p -139.1 -177.26 4.82 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.346 1.059 . . . . 0.0 113.344 171.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.5 p -75.04 3.6 8.15 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.608 1.563 . . . . 0.0 114.335 176.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -60.31 149.06 34.69 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.326 1.05 . . . . 0.0 113.007 178.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.7 p -141.6 151.43 43.13 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.172 1.389 . . . . 0.0 112.168 175.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.2 t -149.54 154.44 38.74 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.223 1.009 . . . . 0.0 112.515 -179.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 45.9 mt -87.94 -3.17 58.94 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.162 1.385 . . . . 0.0 113.318 175.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t -127.65 129.79 47.81 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.681 1.592 . . . . 0.0 111.507 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.1 tptt -69.49 -33.81 73.41 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.204 1.402 . . . . 0.0 111.933 177.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.17 -42.53 75.71 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 124.327 0.965 . . . . 0.0 112.696 174.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 54.8 m170 -69.33 -32.9 72.31 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.429 -1.042 . . . . 0.0 112.155 175.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 63.1 tp -66.42 -39.11 88.77 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.419 -0.801 . . . . 0.0 112.425 171.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.8 tttt -58.36 -47.36 84.03 Favored 'General case' 0 N--CA 1.464 0.267 0 O-C-N 121.367 -0.833 . . . . 0.0 110.213 171.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.6 t -60.79 -41.34 88.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-N 118.676 0.671 . . . . 0.0 111.903 176.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -55.63 -45.68 77.55 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.648 0.658 . . . . 0.0 112.108 174.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.5 mt -71.7 -40.27 70.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 O-C-N 120.698 -1.251 . . . . 0.0 111.488 178.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -68.0 -14.2 62.78 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.448 1.499 . . . . 0.0 113.814 179.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.5 ptt180 -111.97 -40.79 4.14 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 177.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.1 t -91.03 -47.34 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-N 118.3 0.5 . . . . 0.0 111.406 -174.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -102.42 17.71 22.89 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.124 1.37 . . . . 0.0 113.998 -174.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? . . . . . 0 CA--C 1.535 0.401 0 C-N-CA 125.512 1.525 . . . . 0.0 110.828 173.685 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 . . . . . 0 CA--C 1.538 0.496 0 N-CA-C 110.539 -0.171 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 -131.86 151.43 51.69 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 174.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 53.7 t -71.99 132.06 43.78 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.81 1.644 . . . . 0.0 112.506 176.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.7 -2.58 47.39 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 177.228 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -110.04 -35.3 6.16 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.484 1.113 . . . . 0.0 113.442 -179.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.2 p -130.56 2.04 4.53 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 115.454 1.649 . . . . 0.0 115.454 -178.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt 55.73 23.14 6.01 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 126.163 1.785 . . . . 0.0 115.023 178.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -69.83 141.64 53.23 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.581 1.552 . . . . 0.0 111.002 169.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.81 142.75 27.4 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.321 1.048 . . . . 0.0 111.765 177.336 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -134.13 124.05 25.44 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.193 1.797 . . . . 0.0 111.327 -179.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.9 m -83.84 -6.11 59.35 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 -177.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -133.52 122.06 23.06 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 126.446 1.898 . . . . 0.0 108.73 172.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.9 p -62.18 -36.38 74.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 O-C-N 121.88 -0.513 . . . . 0.0 111.669 -177.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -59.36 -33.81 71.62 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 121.333 -0.855 . . . . 0.0 112.39 176.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -77.95 -26.88 49.12 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 174.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.1 tp -63.27 -42.7 99.14 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 119.368 0.986 . . . . 0.0 110.703 168.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.4 mm -61.69 -47.88 91.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 O-C-N 121.816 -0.552 . . . . 0.0 110.322 175.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -57.93 -40.05 79.51 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.486 1.114 . . . . 0.0 112.31 177.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -62.96 -44.31 96.4 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.796 1.238 . . . . 0.0 112.619 172.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 64.0 mt -63.88 -43.36 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 CA-C-N 119.264 0.938 . . . . 0.0 110.839 175.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 77.0 mtp85 -64.17 -22.73 67.05 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.984 1.314 . . . . 0.0 114.44 176.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -91.15 -57.31 2.84 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.182 0.993 . . . . 0.0 113.159 174.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -90.58 -26.96 19.42 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 -164.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 . . . . . 0 CA--C 1.547 0.847 0 C-N-CA 125.77 1.628 . . . . 0.0 112.707 -171.145 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 N--CA 1.479 1.025 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -63.32 -28.39 72.04 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 124.162 3.242 . . . . 0.0 115.343 -173.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -83.17 95.92 8.26 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.19 0.596 . . . . 0.0 111.139 -176.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -91.11 148.76 22.15 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.942 1.697 . . . . 0.0 111.86 -179.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.2 t -75.77 134.48 72.11 Favored Pre-proline 0 CA--C 1.548 0.891 0 C-N-CA 124.313 1.045 . . . . 0.0 110.286 170.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -77.75 -6.82 16.33 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 123.816 3.011 . . . . 0.0 112.319 173.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -113.82 -29.09 7.19 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.837 1.255 . . . . 0.0 113.237 -170.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.6 p -144.56 -174.97 4.47 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 123.931 0.893 . . . . 0.0 113.294 176.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.9 m -73.26 0.28 12.37 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.237 1.415 . . . . 0.0 114.687 -177.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -62.07 147.04 48.62 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.102 1.361 . . . . 0.0 113.968 -178.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.21 153.31 37.43 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.826 1.25 . . . . 0.0 112.042 169.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.3 t -145.3 166.81 24.47 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.846 1.258 . . . . 0.0 112.478 172.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.24 -1.72 57.73 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.167 1.387 . . . . 0.0 114.477 176.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 56.8 mt -134.17 135.1 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 125.129 1.372 . . . . 0.0 110.303 -170.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -63.62 -39.46 94.41 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.028 0.931 . . . . 0.0 112.761 177.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.14 -36.02 76.58 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.638 0.775 . . . . 0.0 113.028 173.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -70.96 -26.71 63.29 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.497 -0.752 . . . . 0.0 112.332 175.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.3 tp -75.23 -44.43 46.17 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.135 0.88 . . . . 0.0 111.272 169.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -54.64 -46.11 73.88 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.103 0.865 . . . . 0.0 111.61 176.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.71 -34.98 67.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 123.339 0.655 . . . . 0.0 112.244 -176.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -66.2 -41.45 90.16 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.634 1.174 . . . . 0.0 112.748 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.0 mt -60.31 -22.98 63.82 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.975 0.91 . . . . 0.0 112.85 -178.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 . . . . . 0 N--CA 1.473 0.694 0 C-N-CA 124.933 1.293 . . . . 0.0 112.889 179.179 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.421 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.9 t -69.32 140.23 54.32 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 122.147 0.975 . . . . 0.0 111.685 172.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -83.75 -4.56 58.73 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.865 0.866 . . . . 0.0 111.876 173.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -120.25 -26.66 5.42 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.89 1.276 . . . . 0.0 113.447 -170.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.7 p -139.94 -175.51 4.25 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.227 1.011 . . . . 0.0 113.028 170.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.2 p -75.1 3.94 7.68 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.471 1.509 . . . . 0.0 114.34 176.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -59.58 144.88 46.35 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.426 1.09 . . . . 0.0 113.167 179.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.8 p -143.22 151.95 41.18 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 125.81 1.644 . . . . 0.0 111.588 171.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.1 t -147.99 156.61 42.84 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.974 0.91 . . . . 0.0 112.257 175.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 47.1 mt -78.92 -3.09 43.11 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 124.476 1.111 . . . . 0.0 112.858 172.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.0 t -123.23 125.65 45.49 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.772 1.629 . . . . 0.0 112.444 178.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.9 pttp -63.7 -34.39 77.76 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.404 1.482 . . . . 0.0 112.318 170.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -67.55 -40.54 90.83 Favored Glycine 0 CA--C 1.53 1.025 0 C-N-CA 123.836 0.731 . . . . 0.0 112.268 176.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -71.16 -34.6 71.12 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.444 -1.033 . . . . 0.0 112.371 174.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.9 tp -58.53 -43.58 89.25 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.296 0.953 . . . . 0.0 111.68 170.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -59.17 -50.86 72.41 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.852 -0.53 . . . . 0.0 110.616 175.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.0 t -60.5 -38.85 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-N 118.283 0.492 . . . . 0.0 111.99 178.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -58.12 -45.55 87.1 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.963 0.905 . . . . 0.0 112.194 175.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 80.2 mt -71.53 -39.26 70.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 O-C-N 120.745 -1.222 . . . . 0.0 110.999 177.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -68.37 -14.07 62.73 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.89 1.276 . . . . 0.0 113.782 179.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.1 ptt180 -110.75 -41.77 4.2 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.799 1.24 . . . . 0.0 114.011 177.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.4 t -91.38 -47.69 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-N 118.362 0.528 . . . . 0.0 111.386 -173.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -106.57 17.58 23.1 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.926 1.291 . . . . 0.0 114.082 -172.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? . . . . . 0 N--CA 1.467 0.42 0 C-N-CA 125.845 1.658 . . . . 0.0 111.115 -178.976 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 . . . . . 0 CA--C 1.542 0.666 0 N-CA-C 116.719 2.118 . . . . 0.0 116.719 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 -139.92 151.93 45.98 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.145 0.978 . . . . 0.0 111.971 168.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.9 t -66.77 129.68 40.67 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.381 1.873 . . . . 0.0 112.206 -178.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -20.49 61.74 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 174.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -87.47 -43.31 12.15 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -177.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.4 p -125.77 4.26 7.42 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 -174.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . 0.253 13.2 mptt 61.53 15.36 6.67 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 126.961 2.104 . . . . 0.0 114.943 174.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -73.84 125.08 27.36 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.937 1.695 . . . . 0.0 111.893 173.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 49.5 tttm -74.16 141.67 45.53 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 126.803 2.041 . . . . 0.0 110.536 173.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -121.3 -1.85 9.64 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 116.972 2.212 . . . . 0.0 116.972 -172.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 44.5 m 58.38 -7.61 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 127.269 2.228 . . . . 0.0 116.361 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -154.92 132.62 11.37 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 128.587 2.755 . . . . 0.0 107.351 168.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 11.4 p -52.82 -36.75 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 O-C-N 121.627 -0.671 . . . . 0.0 111.569 169.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -60.59 -32.96 72.05 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.353 0.979 . . . . 0.0 112.672 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 56.7 m-20 -73.37 -37.36 66.06 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 118.225 0.466 . . . . 0.0 111.85 173.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 63.7 tp -61.94 -38.58 88.98 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.6 0.76 . . . . 0.0 112.114 178.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 19.9 mm -58.88 -47.78 88.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 CA-C-N 118.48 0.582 . . . . 0.0 110.245 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 25.4 ttmm -62.96 -40.52 97.93 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.677 0.791 . . . . 0.0 112.108 177.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -58.4 -45.98 87.31 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 118.674 0.67 . . . . 0.0 112.51 171.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 58.3 mt -61.25 -46.56 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-N 118.812 0.733 . . . . 0.0 110.537 175.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 70.0 mtt-85 -64.69 -26.69 68.48 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 178.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -93.64 -38.26 11.43 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -105.5 -24.79 12.54 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.876 1.27 . . . . 0.0 114.363 -173.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 . . . . . 0 CA--C 1.551 1.007 0 C-N-CA 125.937 1.695 . . . . 0.0 112.433 -175.812 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.6 mttp . . . . . 0 N--CA 1.477 0.924 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.91 -30.89 92.85 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 125.029 3.819 . . . . 0.0 115.509 -173.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -84.03 100.98 11.43 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 124.229 1.011 . . . . 0.0 109.464 -178.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -116.6 144.75 44.0 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.211 1.404 . . . . 0.0 111.937 -167.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.9 t -75.96 132.22 74.61 Favored Pre-proline 0 CA--C 1.547 0.865 0 C-N-CA 123.689 0.796 . . . . 0.0 110.351 -177.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -76.79 -6.23 16.66 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 123.786 2.991 . . . . 0.0 112.175 172.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -115.57 -28.12 6.9 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.831 1.253 . . . . 0.0 113.25 -170.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.8 p -143.88 -172.68 3.8 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.701 0.801 . . . . 0.0 113.144 174.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.9 p -75.43 -0.54 20.38 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.373 1.469 . . . . 0.0 114.548 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -61.41 146.38 48.51 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.962 1.305 . . . . 0.0 114.081 -179.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.89 157.21 42.95 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.9 1.28 . . . . 0.0 112.334 172.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.5 t -146.34 158.19 43.86 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.8 1.64 . . . . 0.0 112.285 174.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.49 -2.39 53.23 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.689 1.196 . . . . 0.0 113.868 168.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 52.7 mt -127.67 132.83 68.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.897 1.279 . . . . 0.0 110.707 -173.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.0 tttm -58.14 -47.55 82.97 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.945 1.298 . . . . 0.0 112.922 178.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.21 -31.77 72.34 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 178.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -74.43 -16.89 60.86 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.542 0.737 . . . . 0.0 112.983 176.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 67.1 tp -83.14 -39.42 21.09 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.265 -0.897 . . . . 0.0 111.094 166.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -66.93 -38.2 85.74 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 120.991 -1.068 . . . . 0.0 112.231 -178.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.8 p -65.5 -30.53 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 123.718 0.807 . . . . 0.0 112.649 173.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -76.88 -37.97 54.51 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.94 0.896 . . . . 0.0 112.619 -172.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.9 mt -61.43 -20.71 63.41 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.574 0.75 . . . . 0.0 112.633 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 . . . . . 0 N--CA 1.478 0.927 0 C-N-CA 125.732 1.613 . . . . 0.0 113.683 176.07 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.449 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.0 t -67.66 141.9 56.56 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 122.155 0.978 . . . . 0.0 112.091 171.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -85.14 -6.41 59.29 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.95 0.9 . . . . 0.0 111.873 173.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -117.95 -27.02 6.27 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.05 1.34 . . . . 0.0 113.319 -172.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.0 p -140.26 -176.67 4.7 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.838 0.855 . . . . 0.0 113.136 171.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.7 m -74.69 5.03 5.3 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.158 1.383 . . . . 0.0 114.013 177.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -62.44 148.07 46.69 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.591 1.156 . . . . 0.0 113.198 -178.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.7 p -142.74 149.43 38.74 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 125.436 1.495 . . . . 0.0 111.912 172.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 5.0 t -141.54 168.8 18.9 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.418 1.087 . . . . 0.0 112.004 174.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -91.95 7.59 41.42 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.962 1.305 . . . . 0.0 114.305 179.464 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 34.9 t -146.07 137.82 24.98 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.935 1.294 . . . . 0.0 112.39 175.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -58.49 -32.82 69.15 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.615 1.566 . . . . 0.0 112.837 168.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.17 -42.78 74.69 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 123.511 0.576 . . . . 0.0 112.367 176.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 55.4 m170 -69.47 -34.57 74.57 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 121.616 -0.932 . . . . 0.0 112.161 173.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.0 tp -61.5 -43.32 99.07 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.342 0.657 . . . . 0.0 111.992 170.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.3 tttp -58.23 -50.28 74.11 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 118.423 -0.799 . . . . 0.0 109.951 173.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.8 t -58.15 -41.17 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 119.116 0.871 . . . . 0.0 112.129 178.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -57.2 -47.29 81.65 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.386 0.674 . . . . 0.0 112.477 174.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 93.6 mt -70.3 -39.56 76.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 O-C-N 120.907 -1.12 . . . . 0.0 111.129 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -67.88 -13.73 62.39 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.125 1.77 . . . . 0.0 113.768 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -114.09 -39.48 3.91 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.693 1.197 . . . . 0.0 114.039 178.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 38.3 t -91.32 -46.65 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 122.826 0.45 . . . . 0.0 111.26 -175.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -108.38 18.34 21.11 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 -171.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.47 0.573 0 C-N-CA 125.14 1.376 . . . . 0.0 110.557 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 CA--C 1.538 0.497 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 27.3 p-80 -140.23 151.77 45.43 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 168.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.1 t -73.64 130.19 39.52 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.889 1.675 . . . . 0.0 112.539 179.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.34 -5.87 53.46 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 178.118 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -101.62 -39.07 7.65 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.481 1.112 . . . . 0.0 113.255 177.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.6 p -130.28 3.8 4.74 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 115.651 1.722 . . . . 0.0 115.651 -173.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt 59.31 13.74 3.29 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 126.595 1.958 . . . . 0.0 115.131 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -65.58 135.9 55.67 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.968 1.307 . . . . 0.0 110.646 174.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -87.83 142.92 27.43 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.82 0.848 . . . . 0.0 112.69 178.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -134.69 126.63 29.45 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.876 1.67 . . . . 0.0 110.9 -175.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 48.6 m -83.71 -9.61 58.73 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -177.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -137.58 128.1 26.65 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 125.648 1.579 . . . . 0.0 109.637 173.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.7 p -63.4 -35.6 72.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 N-CA-C 112.397 0.518 . . . . 0.0 112.397 -175.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -57.32 -38.43 74.04 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 119.197 0.908 . . . . 0.0 112.499 178.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -76.52 -25.07 53.79 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.47 0.708 . . . . 0.0 112.399 176.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.4 tp -66.3 -43.22 86.9 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 119.166 0.893 . . . . 0.0 111.324 169.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 15.7 mm -60.12 -46.86 93.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-N 118.44 0.564 . . . . 0.0 110.257 176.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.0 tppt? -58.35 -46.45 86.25 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.296 1.439 . . . . 0.0 111.433 175.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 55.7 t60 -59.11 -43.63 91.91 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.358 0.663 . . . . 0.0 112.304 174.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 58.2 mt -59.41 -52.54 59.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-O 118.744 -0.645 . . . . 0.0 110.164 174.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -60.73 -33.38 72.83 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 179.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -86.76 -37.46 17.84 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -177.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -102.94 -30.8 10.58 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -172.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 . . . . . 0 N--CA 1.476 0.83 0 N-CA-C 115.925 1.824 . . . . 0.0 115.925 -169.769 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.513 0 N-CA-C 111.721 -0.552 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.3 p -87.87 -8.21 56.14 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -178.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.3 p -72.39 156.59 38.92 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.427 1.491 . . . . 0.0 113.611 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.06 170.65 53.04 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 124.576 1.084 . . . . 0.0 114.599 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.9 m -66.86 154.89 39.81 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.902 1.281 . . . . 0.0 113.458 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.7 m -64.82 154.05 38.26 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.897 1.279 . . . . 0.0 113.398 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.86 -27.39 0.24 Allowed Glycine 0 CA--C 1.536 1.358 0 C-N-CA 124.365 0.984 . . . . 0.0 114.775 176.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 49.46 60.73 15.04 Favored Pre-proline 0 N--CA 1.48 1.066 0 C-N-CA 126.714 2.006 . . . . 0.0 114.107 176.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -62.78 -32.73 77.8 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 124.351 3.367 . . . . 0.0 115.365 -177.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -82.24 103.05 11.55 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.579 0.752 . . . . 0.0 110.335 -175.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -115.68 146.62 41.69 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.692 1.597 . . . . 0.0 112.666 -169.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.5 t -77.07 136.03 66.29 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 124.137 0.975 . . . . 0.0 110.987 -178.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -77.05 -10.59 17.97 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 123.848 3.032 . . . . 0.0 112.375 174.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -112.63 -27.36 8.22 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 -173.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.7 p -143.49 -177.74 5.54 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.8 m -71.94 1.14 7.64 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.32 1.448 . . . . 0.0 114.414 -177.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -61.9 143.35 56.55 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.962 1.305 . . . . 0.0 113.871 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.83 152.14 35.99 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.092 1.357 . . . . 0.0 112.025 172.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.7 t -147.46 166.42 27.29 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.019 1.328 . . . . 0.0 112.333 173.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.2 0.51 56.69 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.069 1.347 . . . . 0.0 114.058 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 61.9 mt -132.1 134.48 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.365 1.466 . . . . 0.0 110.201 -172.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -62.74 -41.23 99.09 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.997 0.919 . . . . 0.0 112.924 178.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.32 -34.47 73.84 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.995 0.918 . . . . 0.0 113.07 175.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -68.9 -38.44 79.6 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.583 -0.698 . . . . 0.0 111.561 175.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.2 tp -65.32 -45.03 85.93 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.176 -0.952 . . . . 0.0 111.623 170.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -55.16 -47.52 75.04 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.204 0.911 . . . . 0.0 111.535 176.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.84 -35.1 71.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 123.186 0.594 . . . . 0.0 112.241 -176.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -66.14 -40.6 90.74 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.169 0.988 . . . . 0.0 112.743 177.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.5 mt -62.62 -24.77 67.76 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.019 0.928 . . . . 0.0 112.668 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -59.33 -17.71 31.86 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.023 1.329 . . . . 0.0 114.325 176.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -81.58 -28.46 33.81 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.075 1.35 . . . . 0.0 112.651 174.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 -88.67 -12.82 41.33 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.325 1.45 . . . . 0.0 114.304 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 29.3 p -72.22 163.12 28.49 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -71.61 -176.67 25.87 Favored Glycine 0 CA--C 1.539 1.554 0 C-N-CA 123.889 0.757 . . . . 0.0 114.335 173.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -72.45 134.12 45.19 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.636 -0.92 . . . . 0.0 113.225 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -86.61 114.25 23.17 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 124.062 0.945 . . . . 0.0 111.55 171.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -96.58 119.37 34.95 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 125.107 1.363 . . . . 0.0 108.676 169.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.61 148.38 22.12 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.412 1.085 . . . . 0.0 113.052 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.2 t -67.23 142.63 56.87 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 122.115 0.96 . . . . 0.0 111.792 170.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -81.53 -5.59 58.14 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.891 0.876 . . . . 0.0 112.068 175.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -122.66 -26.94 4.43 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.359 1.063 . . . . 0.0 113.808 -170.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.2 p -138.73 -178.34 5.27 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.045 0.938 . . . . 0.0 113.273 172.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.0 m -73.43 4.56 4.61 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.297 1.439 . . . . 0.0 114.068 176.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -61.1 146.41 47.5 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 123.966 0.906 . . . . 0.0 112.784 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.3 p -139.78 152.04 46.26 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 125.06 1.344 . . . . 0.0 112.193 171.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 9.1 t -143.21 151.01 40.12 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.314 1.045 . . . . 0.0 112.165 -177.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.5 mt -87.44 -3.9 59.01 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.684 1.194 . . . . 0.0 113.254 170.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.0 m -131.44 111.4 11.77 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.897 1.679 . . . . 0.0 110.884 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.402 ' HG2' ' H ' ' A' ' 49' ' ' LYS . 21.6 pttt -60.81 -31.36 70.76 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.996 1.318 . . . . 0.0 113.971 -178.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.16 -34.84 81.99 Favored Glycine 0 CA--C 1.538 1.513 0 O-C-N 121.871 -0.518 . . . . 0.0 113.406 174.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -72.77 -35.52 67.45 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.286 -1.126 . . . . 0.0 111.765 172.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.68 -39.42 91.36 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.381 0.672 . . . . 0.0 112.211 171.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -59.07 -49.17 78.92 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.356 -0.84 . . . . 0.0 111.135 171.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.3 t -60.8 -39.64 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 CA-C-N 118.661 0.664 . . . . 0.0 111.85 177.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -57.2 -46.46 82.87 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.845 0.858 . . . . 0.0 111.718 175.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 93.7 mt -70.7 -42.63 77.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 O-C-N 121.023 -1.048 . . . . 0.0 111.233 177.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -63.95 -21.12 66.34 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.08 1.352 . . . . 0.0 113.859 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.7 ptm85 -105.89 -41.59 5.37 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.7 t -90.54 -42.85 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 CA-C-N 118.219 0.463 . . . . 0.0 111.557 -173.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -113.69 15.08 18.88 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -169.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -84.95 133.07 34.28 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.891 1.677 . . . . 0.0 109.738 173.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm 50.87 46.73 25.78 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.319 1.448 . . . . 0.0 112.508 -169.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 19.8 tt -78.32 138.79 19.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 125.071 1.348 . . . . 0.0 111.834 -179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -67.54 139.43 56.95 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.561 0.744 . . . . 0.0 111.496 173.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -140.56 165.94 26.07 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.619 1.568 . . . . 0.0 110.805 -177.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 38.7 p-80 -133.07 148.23 52.19 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.582 0.753 . . . . 0.0 112.528 169.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 52.7 t -69.64 135.19 49.6 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.15 1.38 . . . . 0.0 112.457 178.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.83 -0.74 44.77 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 178.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -113.52 -35.68 5.17 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.473 1.109 . . . . 0.0 113.503 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.9 p -129.59 2.33 5.0 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 -176.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm 56.38 15.85 2.16 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 126.739 2.015 . . . . 0.0 115.549 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -63.3 137.89 58.34 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.931 1.292 . . . . 0.0 110.671 172.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -84.46 142.79 29.83 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.146 0.978 . . . . 0.0 112.058 177.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -131.45 144.23 51.01 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.19 1.796 . . . . 0.0 112.477 -176.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 44.1 p -81.27 -16.81 51.47 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.311 1.844 . . . . 0.0 114.671 -174.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -152.18 145.72 24.91 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 126.346 1.858 . . . . 0.0 108.362 176.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.9 p -57.87 -37.2 59.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 O-C-N 121.62 -0.675 . . . . 0.0 111.305 170.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -62.62 -32.5 73.53 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.8 1.182 . . . . 0.0 112.717 178.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -73.59 -35.51 65.43 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.305 0.642 . . . . 0.0 111.741 174.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.7 tp -62.45 -39.17 92.52 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.691 0.796 . . . . 0.0 112.457 174.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 16.2 mm -61.4 -46.31 96.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 O-C-N 121.641 -0.662 . . . . 0.0 110.747 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -59.24 -40.99 87.65 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.366 0.666 . . . . 0.0 111.847 177.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -60.97 -45.48 94.6 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.679 0.792 . . . . 0.0 113.05 171.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 66.5 mt -62.91 -43.45 98.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 O-C-N 121.33 -0.856 . . . . 0.0 110.792 176.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 76.6 mtp85 -63.04 -23.18 67.33 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 175.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -97.13 -44.27 7.03 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.541 1.137 . . . . 0.0 113.516 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -103.47 -25.57 13.19 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.9 1.28 . . . . 0.0 114.239 -171.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 57.0 m-70 -129.36 29.65 5.08 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.374 1.47 . . . . 0.0 112.719 -173.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.48 147.05 61.49 Favored Pre-proline 0 CA--C 1.553 1.069 0 N-CA-C 114.652 1.353 . . . . 0.0 114.652 -168.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -82.27 7.25 5.22 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 124.059 3.173 . . . . 0.0 115.316 -172.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 55.53 34.78 23.81 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 126.272 1.829 . . . . 0.0 113.67 -175.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.1 t70 . . . . . 0 C--O 1.253 1.284 0 C-N-CA 126.707 2.003 . . . . 0.0 112.82 -177.393 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.598 0 N-CA-C 111.988 -0.445 . . . . 0.0 111.988 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.7 m -67.15 148.95 51.16 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.47 1.108 . . . . 0.0 113.028 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.3 t -75.38 146.3 40.94 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.974 0.909 . . . . 0.0 112.397 177.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.75 179.67 37.47 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 125.416 1.484 . . . . 0.0 113.249 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.3 p -77.31 154.49 32.82 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.302 1.041 . . . . 0.0 112.343 173.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.1 m -71.99 -38.32 69.7 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 113.666 0.988 . . . . 0.0 113.666 -173.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.16 -135.03 52.04 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 124.422 1.01 . . . . 0.0 112.915 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.2 mttp 53.82 63.61 7.63 Favored Pre-proline 0 N--CA 1.478 0.975 0 C-N-CA 126.215 1.806 . . . . 0.0 113.473 169.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.37 -28.8 71.82 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 123.827 3.018 . . . . 0.0 115.373 -175.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -83.83 99.75 10.52 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.145 0.578 . . . . 0.0 111.245 -176.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -94.45 149.59 21.09 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.83 1.652 . . . . 0.0 112.265 -178.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.7 t -78.0 136.75 61.79 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 124.628 1.171 . . . . 0.0 110.664 171.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -78.61 -10.84 15.75 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 123.991 3.127 . . . . 0.0 112.277 173.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -108.03 -28.84 9.32 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.401 1.08 . . . . 0.0 113.497 -173.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.8 p -145.13 -176.0 4.92 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 178.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.3 m -72.36 0.14 10.87 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.312 1.445 . . . . 0.0 114.477 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -61.33 145.32 51.87 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.736 1.215 . . . . 0.0 113.794 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.18 152.57 36.28 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.801 1.24 . . . . 0.0 111.796 169.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.8 t -144.33 168.23 20.59 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.745 1.218 . . . . 0.0 112.584 173.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.95 -1.45 58.0 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.273 1.429 . . . . 0.0 114.375 177.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 56.7 mt -135.19 135.43 52.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 125.285 1.434 . . . . 0.0 110.047 -170.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -63.13 -39.54 94.99 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 123.987 0.915 . . . . 0.0 112.692 177.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.99 -36.1 76.44 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.786 0.834 . . . . 0.0 113.014 173.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -71.41 -25.22 62.24 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.568 -0.707 . . . . 0.0 112.46 175.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.5 tp -76.65 -44.7 32.88 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.35 -0.844 . . . . 0.0 111.064 168.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -54.25 -48.25 71.37 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 119.083 0.856 . . . . 0.0 111.461 176.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.08 -33.77 65.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 123.669 0.787 . . . . 0.0 112.295 -176.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -69.04 -38.65 79.24 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.681 1.193 . . . . 0.0 112.772 178.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.9 mt -65.88 -24.38 66.85 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.596 0.758 . . . . 0.0 112.587 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.5 mtp-105 -59.33 -35.67 74.26 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.938 0.895 . . . . 0.0 112.145 173.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -65.74 -37.25 85.86 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.834 1.254 . . . . 0.0 111.835 -179.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -68.19 -9.79 49.55 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 176.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.4 p -74.34 -26.05 59.91 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 119.815 1.189 . . . . 0.0 113.043 173.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -97.77 177.48 31.73 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 125.477 1.513 . . . . 0.0 114.183 -175.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -73.41 127.89 33.95 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.746 -0.855 . . . . 0.0 111.726 175.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -99.43 110.35 22.84 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.049 0.939 . . . . 0.0 110.652 176.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -91.82 106.82 18.76 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 126.708 2.003 . . . . 0.0 109.119 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.16 144.66 25.19 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.557 1.318 . . . . 0.0 114.557 -173.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.5 t -67.95 143.9 55.43 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 122.192 0.996 . . . . 0.0 112.133 171.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -85.61 -7.75 58.65 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.01 0.924 . . . . 0.0 111.925 173.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -117.57 -27.19 6.38 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.042 1.337 . . . . 0.0 113.381 -172.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.4 p -138.51 -176.6 4.52 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 172.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.1 p -75.93 4.44 8.2 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.487 1.515 . . . . 0.0 114.139 176.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -60.34 146.05 45.52 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.563 1.145 . . . . 0.0 113.015 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 52.0 p -142.13 153.05 43.8 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 125.355 1.462 . . . . 0.0 112.032 170.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 5.4 t -142.13 170.64 15.33 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.542 1.137 . . . . 0.0 112.121 178.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -93.39 5.79 50.37 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.064 1.746 . . . . 0.0 113.796 178.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.2 t -145.22 137.86 26.09 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.71 1.204 . . . . 0.0 112.469 173.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.1 pttt -59.24 -32.86 70.36 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.703 1.601 . . . . 0.0 112.516 169.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.17 -41.31 70.06 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 123.748 0.689 . . . . 0.0 112.354 176.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 62.2 m170 -69.96 -34.05 72.9 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.464 -1.021 . . . . 0.0 112.163 173.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.32 -43.53 98.72 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.589 0.756 . . . . 0.0 111.994 170.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -57.95 -49.62 76.17 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.519 -0.738 . . . . 0.0 110.776 172.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 76.4 t -59.14 -39.47 78.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 118.7 0.682 . . . . 0.0 111.932 177.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -57.62 -47.16 82.95 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.526 0.603 . . . . 0.0 111.911 175.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 82.4 mt -70.23 -39.53 76.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 O-C-N 120.913 -1.117 . . . . 0.0 111.091 178.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -69.3 -11.41 60.78 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.401 1.48 . . . . 0.0 114.25 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -114.34 -41.04 3.53 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 175.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 40.5 t -90.19 -47.71 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 122.957 0.503 . . . . 0.0 111.33 -173.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -103.34 22.6 13.88 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.431 1.492 . . . . 0.0 113.247 -177.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -71.12 140.97 50.79 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.994 1.718 . . . . 0.0 111.13 173.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt 52.46 46.65 26.29 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 126.649 1.98 . . . . 0.0 113.643 -175.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 14.5 tt -95.43 150.66 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 125.326 1.45 . . . . 0.0 112.365 -178.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.4 pttp -66.49 152.56 44.94 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.577 1.151 . . . . 0.0 112.837 173.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 -143.71 175.62 9.84 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.522 1.929 . . . . 0.0 110.637 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -138.14 152.52 48.78 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.198 -0.938 . . . . 0.0 113.069 168.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 53.1 t -73.7 132.42 42.67 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.976 1.711 . . . . 0.0 112.652 -179.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.76 -4.1 50.48 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 177.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -107.81 -34.71 6.87 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.271 1.029 . . . . 0.0 113.419 -178.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.8 p -131.12 3.92 4.38 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 -177.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt 59.41 11.55 2.29 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 126.617 1.967 . . . . 0.0 115.302 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -64.55 135.73 56.3 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.901 1.28 . . . . 0.0 111.047 175.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -82.65 141.08 32.77 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.284 1.034 . . . . 0.0 111.544 176.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -127.86 140.52 51.97 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.749 1.62 . . . . 0.0 111.946 -176.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 39.5 p -73.2 -22.64 60.41 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.478 1.511 . . . . 0.0 114.262 -174.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -149.31 148.09 29.12 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.037 1.735 . . . . 0.0 109.495 178.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.7 p -58.36 -38.89 72.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 CA-C-O 118.683 -0.675 . . . . 0.0 111.852 172.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -64.89 -33.07 75.13 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.881 1.219 . . . . 0.0 112.33 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -71.02 -36.15 72.29 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 122.973 0.509 . . . . 0.0 111.552 173.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.86 -39.8 95.54 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.606 0.763 . . . . 0.0 112.505 175.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 15.2 mm -60.49 -45.3 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 118.633 0.651 . . . . 0.0 110.594 178.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -63.45 -39.15 93.72 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.174 0.59 . . . . 0.0 112.031 178.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -60.24 -45.66 92.49 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 118.759 0.708 . . . . 0.0 112.681 170.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 59.9 mt -60.62 -44.67 97.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 O-C-N 121.57 -0.706 . . . . 0.0 110.416 175.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 43.0 mtt-85 -67.44 -18.81 65.23 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 115.502 1.668 . . . . 0.0 115.502 176.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -97.65 -38.92 9.33 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.138 0.975 . . . . 0.0 113.313 178.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.11 -26.66 11.02 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.925 1.29 . . . . 0.0 114.384 -173.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 42.2 m-70 -133.35 31.58 3.76 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.683 1.593 . . . . 0.0 112.507 -171.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.2 143.32 64.61 Favored Pre-proline 0 CA--C 1.553 1.079 0 N-CA-C 115.942 1.83 . . . . 0.0 115.942 -166.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -88.28 4.86 5.5 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 124.062 3.174 . . . . 0.0 114.744 -177.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 52.32 37.92 23.59 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 126.359 1.864 . . . . 0.0 113.33 -170.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 32.4 t70 . . . . . 0 C--O 1.252 1.206 0 C-N-CA 126.53 1.932 . . . . 0.0 112.662 -176.583 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.58 0 N-CA-C 111.831 -0.508 . . . . 0.0 111.831 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.1 p -75.91 158.93 31.45 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.754 1.221 . . . . 0.0 113.205 177.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.9 p -77.4 155.98 31.48 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.776 1.231 . . . . 0.0 113.061 177.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.85 152.38 50.27 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 124.159 0.885 . . . . 0.0 113.613 177.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.2 p -78.92 -16.02 57.54 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 -178.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.9 p -147.07 148.0 31.19 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.572 1.549 . . . . 0.0 112.171 177.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.56 -22.47 69.85 Favored Glycine 0 CA--C 1.536 1.39 0 N-CA-C 115.168 0.827 . . . . 0.0 115.168 -175.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt 45.91 60.91 13.43 Favored Pre-proline 0 N--CA 1.481 1.113 0 C-N-CA 126.579 1.952 . . . . 0.0 113.194 176.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -65.51 -27.57 54.0 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 124.211 3.274 . . . . 0.0 115.42 -173.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -82.73 94.66 7.65 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.025 0.53 . . . . 0.0 111.112 -176.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -90.73 148.47 22.56 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.28 1.832 . . . . 0.0 111.943 -178.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.2 t -77.82 134.28 64.99 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 124.357 1.063 . . . . 0.0 110.145 171.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -78.51 -7.11 15.77 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 123.965 3.11 . . . . 0.0 112.324 171.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -113.08 -26.32 8.52 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.859 1.263 . . . . 0.0 113.295 -170.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.4 p -146.34 -173.8 4.28 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.289 1.036 . . . . 0.0 113.327 172.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.8 m -74.11 0.84 12.6 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.249 1.42 . . . . 0.0 114.713 -177.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -61.89 146.75 48.87 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.287 1.435 . . . . 0.0 113.972 -178.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.17 151.91 35.15 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.866 1.266 . . . . 0.0 112.035 169.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.2 t -143.78 166.31 25.24 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.643 1.177 . . . . 0.0 112.443 173.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.2 -1.04 57.61 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.084 1.354 . . . . 0.0 114.281 177.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 54.9 mt -133.58 134.86 56.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 125.386 1.474 . . . . 0.0 109.939 -171.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -63.27 -39.72 95.39 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.717 0.807 . . . . 0.0 112.836 178.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.18 -35.76 76.08 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.874 0.869 . . . . 0.0 113.073 174.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -71.1 -25.15 62.47 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.506 -0.746 . . . . 0.0 112.452 175.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.1 tp -76.84 -45.38 28.66 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.069 0.85 . . . . 0.0 111.019 168.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -53.67 -47.18 70.65 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.205 0.912 . . . . 0.0 111.59 176.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.3 -34.07 66.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 123.553 0.741 . . . . 0.0 112.266 -177.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -69.05 -38.05 78.89 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.614 1.166 . . . . 0.0 112.778 178.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 62.0 mt -64.75 -23.45 67.25 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.606 0.763 . . . . 0.0 112.707 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -58.99 -36.32 74.7 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.103 0.961 . . . . 0.0 112.272 174.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -67.71 -27.94 67.24 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 125.08 1.352 . . . . 0.0 112.78 -177.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -76.39 -5.34 46.84 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 174.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.5 p -78.21 167.33 21.56 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 119.699 1.136 . . . . 0.0 112.232 170.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.31 -1.23 86.09 Favored Glycine 0 CA--C 1.538 1.489 0 O-C-N 121.313 -0.867 . . . . 0.0 114.789 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -81.93 149.04 28.42 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.266 1.427 . . . . 0.0 111.27 170.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.4 mmtt -77.49 108.72 10.86 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.692 0.797 . . . . 0.0 111.783 176.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -99.68 120.72 40.15 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 125.168 1.387 . . . . 0.0 109.374 169.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.72 147.38 23.04 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.607 1.163 . . . . 0.0 112.892 176.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.8 t -67.61 142.85 56.31 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 122.203 1.001 . . . . 0.0 111.59 171.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -82.12 -5.09 58.17 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.856 0.863 . . . . 0.0 112.113 175.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -122.08 -26.59 4.71 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.513 1.125 . . . . 0.0 113.621 -170.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 29.4 p -140.22 -178.28 5.4 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.33 1.052 . . . . 0.0 113.321 171.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.8 m -73.72 5.14 4.23 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.351 1.46 . . . . 0.0 114.083 177.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -61.22 146.56 47.33 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.008 0.923 . . . . 0.0 112.718 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 80.6 p -138.66 154.9 48.65 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 125.019 1.328 . . . . 0.0 112.11 170.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 17.3 t -147.57 152.56 38.16 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.064 0.946 . . . . 0.0 112.171 -175.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 64.6 mt -86.63 -2.07 58.2 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.006 1.322 . . . . 0.0 113.343 172.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.2 t -133.37 124.53 27.34 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 125.828 1.651 . . . . 0.0 111.608 177.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -60.73 -33.15 72.48 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 125.459 1.504 . . . . 0.0 113.167 172.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -75.31 -35.19 48.94 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 123.756 0.693 . . . . 0.0 112.934 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -71.89 -34.78 69.43 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.286 -1.126 . . . . 0.0 111.849 169.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.0 tp -62.29 -38.73 90.48 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.5 -0.75 . . . . 0.0 112.21 171.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -57.79 -50.28 73.79 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.486 -0.758 . . . . 0.0 110.877 170.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.6 t -59.18 -40.17 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 118.974 0.806 . . . . 0.0 111.897 177.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -56.74 -47.3 80.32 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.547 0.739 . . . . 0.0 111.803 175.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 87.7 mt -71.16 -40.55 74.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 O-C-N 120.766 -1.209 . . . . 0.0 111.29 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -67.41 -11.94 59.02 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.642 1.577 . . . . 0.0 114.069 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -116.22 -41.11 3.18 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 176.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 38.7 t -88.85 -45.62 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-N 118.374 0.534 . . . . 0.0 111.251 -173.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -105.55 17.45 23.83 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.323 1.449 . . . . 0.0 113.599 -175.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -63.71 125.25 23.7 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 126.002 1.721 . . . . 0.0 111.207 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt 52.76 41.49 31.59 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 126.872 2.069 . . . . 0.0 114.026 -179.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 17.1 tt -72.27 143.03 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 124.677 1.191 . . . . 0.0 110.787 174.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -89.39 108.83 19.86 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.198 0.599 . . . . 0.0 111.548 -172.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -82.54 166.25 19.44 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.201 1.401 . . . . 0.0 110.194 169.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 42.5 p-80 -134.95 148.39 50.01 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 170.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 44.6 t -70.63 134.92 48.0 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.474 1.509 . . . . 0.0 112.252 175.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.1 -3.19 51.16 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 178.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -108.33 -52.91 2.7 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.419 1.088 . . . . 0.0 112.244 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 23.5 p -111.93 0.2 15.99 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -173.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? 59.04 15.88 4.33 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 126.577 1.951 . . . . 0.0 114.439 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -64.35 138.28 58.35 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.164 1.386 . . . . 0.0 110.493 171.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -88.11 144.81 26.28 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.875 0.87 . . . . 0.0 112.504 176.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -134.14 127.62 32.43 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.868 1.667 . . . . 0.0 111.927 -174.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 49.7 m -79.96 -8.13 59.17 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -178.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -138.96 133.9 32.4 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.424 1.49 . . . . 0.0 109.515 171.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.75 -36.77 73.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 CA-C-O 118.827 -0.606 . . . . 0.0 111.513 174.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -64.47 -34.58 78.54 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.865 1.211 . . . . 0.0 112.079 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -72.23 -32.35 66.64 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 174.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.6 tp -61.92 -41.35 97.83 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 118.303 0.501 . . . . 0.0 111.804 171.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 13.9 mm -61.94 -47.56 92.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 CA-C-N 118.575 0.625 . . . . 0.0 110.459 177.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -59.4 -41.1 88.65 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.403 0.681 . . . . 0.0 111.815 178.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -60.21 -45.99 91.27 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.99 0.916 . . . . 0.0 112.962 171.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 61.8 mt -62.85 -42.83 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-N 119.22 0.918 . . . . 0.0 110.782 176.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 77.9 mtp85 -64.81 -23.22 67.17 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 175.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -97.27 -41.66 8.17 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.641 1.177 . . . . 0.0 113.671 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -104.79 -25.46 12.64 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.977 1.311 . . . . 0.0 114.189 -171.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -128.8 26.94 5.52 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.11 1.364 . . . . 0.0 113.225 -172.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -53.39 138.47 49.18 Favored Pre-proline 0 CA--C 1.553 1.077 0 C-N-CA 125.697 1.599 . . . . 0.0 114.646 -172.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -53.32 137.6 64.34 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 124.486 3.458 . . . . 0.0 114.336 175.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -99.37 -4.98 30.41 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.741 1.217 . . . . 0.0 113.707 -178.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 C--O 1.254 1.298 0 C-N-CA 126.654 1.982 . . . . 0.0 112.603 -179.677 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.532 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.5 m -136.88 153.3 50.79 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.198 1.399 . . . . 0.0 112.134 -175.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -76.0 -14.18 60.23 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -175.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.78 -168.36 53.29 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 124.605 1.098 . . . . 0.0 114.442 -178.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.7 p -90.55 5.58 47.19 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.81 1.644 . . . . 0.0 114.77 -176.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.8 m -63.04 155.3 28.09 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.66 1.584 . . . . 0.0 114.155 -176.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.08 167.82 44.0 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 124.97 1.272 . . . . 0.0 114.252 -178.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.0 mttt 46.78 60.69 14.53 Favored Pre-proline 0 N--CA 1.479 0.992 0 C-N-CA 126.188 1.795 . . . . 0.0 112.966 -175.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -60.99 -32.01 91.93 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 124.382 3.388 . . . . 0.0 115.19 -174.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -82.56 104.74 13.05 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.627 0.771 . . . . 0.0 110.633 -175.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -98.11 149.66 22.27 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.285 1.434 . . . . 0.0 112.124 -176.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.9 t -77.07 133.72 68.7 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 123.595 0.758 . . . . 0.0 109.991 169.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -77.42 -7.81 17.04 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 123.715 2.943 . . . . 0.0 112.318 173.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -116.06 -24.89 7.86 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -171.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.1 p -143.49 -172.65 3.76 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 172.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.5 p -75.87 -0.12 20.18 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.314 1.446 . . . . 0.0 114.68 -178.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -60.28 146.5 43.66 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.893 1.277 . . . . 0.0 114.039 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.99 154.6 39.59 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.857 1.263 . . . . 0.0 111.919 170.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.6 t -146.46 167.31 23.97 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.651 1.18 . . . . 0.0 112.602 173.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.25 -0.87 57.39 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.462 1.505 . . . . 0.0 114.536 176.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 56.0 mt -135.46 135.17 51.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 125.177 1.391 . . . . 0.0 110.206 -171.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -62.65 -40.24 96.41 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.807 0.843 . . . . 0.0 112.561 177.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.01 76.87 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.943 0.897 . . . . 0.0 112.874 175.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -70.53 -25.57 63.18 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.54 -0.725 . . . . 0.0 112.41 174.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.0 tp -76.96 -44.81 29.89 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 118.941 0.791 . . . . 0.0 111.084 169.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -53.86 -45.8 71.07 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.14 0.882 . . . . 0.0 111.499 176.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.2 -34.29 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 C-N-CA 123.572 0.749 . . . . 0.0 112.403 -176.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -67.79 -39.96 83.99 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.804 1.242 . . . . 0.0 112.766 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.0 mt -61.21 -21.52 63.91 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.975 0.91 . . . . 0.0 113.156 -178.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -59.72 -22.53 62.17 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.719 1.607 . . . . 0.0 114.118 -178.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.9 ptpt -82.58 -22.2 34.93 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 176.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -87.85 0.93 55.18 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.041 1.336 . . . . 0.0 114.503 -174.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.8 p -77.69 139.32 39.42 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 120.781 -1.199 . . . . 0.0 112.139 174.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 161.48 -164.05 34.86 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 123.517 0.58 . . . . 0.0 113.314 -171.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -69.99 132.94 46.7 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.947 -0.737 . . . . 0.0 111.867 175.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.3 mmtt -109.27 103.09 11.98 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.873 1.269 . . . . 0.0 111.246 -171.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -83.48 101.25 11.28 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 126.328 1.851 . . . . 0.0 109.02 178.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -93.57 144.18 25.61 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.825 1.25 . . . . 0.0 113.247 -174.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.8 t -69.23 140.75 54.54 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 122.11 0.957 . . . . 0.0 111.678 172.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -84.1 -4.02 58.49 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.82 0.848 . . . . 0.0 111.962 173.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -120.42 -27.22 5.24 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.974 1.309 . . . . 0.0 113.245 -170.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.3 p -139.88 -177.4 4.96 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.515 1.126 . . . . 0.0 112.904 171.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.9 m -74.16 5.41 4.44 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.198 1.399 . . . . 0.0 114.104 177.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -62.3 145.81 52.74 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.782 1.233 . . . . 0.0 113.213 -178.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 77.6 p -140.53 156.24 46.37 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 125.271 1.428 . . . . 0.0 112.102 169.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.4 t -144.64 167.24 23.02 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.695 1.198 . . . . 0.0 111.232 176.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -95.97 12.18 31.32 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.483 1.513 . . . . 0.0 112.377 172.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.8 t -138.85 128.5 24.73 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.491 1.516 . . . . 0.0 112.475 174.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.3 pttt -61.1 -33.63 73.67 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.466 1.506 . . . . 0.0 112.333 169.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.34 -44.26 75.26 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 123.843 0.735 . . . . 0.0 112.43 177.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -71.26 -32.78 69.14 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.47 -1.017 . . . . 0.0 112.385 175.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.3 tp -58.55 -43.09 89.21 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 119.012 0.824 . . . . 0.0 111.845 169.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.9 tttt -61.16 -47.16 87.49 Favored 'General case' 0 N--CA 1.463 0.225 0 O-C-N 121.579 -0.701 . . . . 0.0 110.406 176.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.4 t -61.4 -40.64 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 122.914 0.486 . . . . 0.0 111.772 177.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -57.34 -45.4 84.36 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.041 0.936 . . . . 0.0 112.26 175.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.4 mt -71.15 -41.83 75.66 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 O-C-N 121.045 -1.034 . . . . 0.0 111.001 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -64.52 -21.8 66.79 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.065 1.346 . . . . 0.0 113.64 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -102.95 -41.85 6.0 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.689 1.196 . . . . 0.0 113.864 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 25.2 t -92.33 -45.25 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-N 118.218 0.463 . . . . 0.0 111.646 -173.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -112.65 18.91 17.94 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 115.365 1.617 . . . . 0.0 115.365 -169.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -85.43 136.97 33.22 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.155 1.382 . . . . 0.0 111.364 -178.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.7 tttp 50.87 50.55 18.83 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 126.419 1.887 . . . . 0.0 112.881 -172.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 14.5 tt -99.09 144.08 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 125.595 1.558 . . . . 0.0 112.493 -175.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -85.63 153.04 22.65 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.798 1.239 . . . . 0.0 111.927 171.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -136.83 167.74 20.88 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.195 1.398 . . . . 0.0 112.002 -174.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 45.0 p-80 -139.46 149.3 43.86 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.558 0.743 . . . . 0.0 112.22 168.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 53.3 t -76.15 122.09 23.8 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.97 1.308 . . . . 0.0 109.733 169.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.78 -22.21 62.4 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 120.806 -1.184 . . . . 0.0 113.496 178.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -81.95 -36.09 28.35 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.453 1.101 . . . . 0.0 113.661 -173.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 29.2 p -126.58 0.24 6.84 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 179.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . 0.337 63.2 mttp 58.08 28.05 15.79 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.959 2.104 . . . . 0.0 114.372 174.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -76.39 137.19 39.61 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 127.082 2.153 . . . . 0.0 110.247 169.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -91.66 146.94 23.37 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.174 0.99 . . . . 0.0 112.209 176.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -134.48 131.93 38.66 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.968 1.707 . . . . 0.0 111.051 -173.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 57.7 p -83.16 -6.47 59.49 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.13 1.372 . . . . 0.0 113.706 176.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -139.95 131.92 27.77 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.27 1.828 . . . . 0.0 110.566 177.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.8 p -65.81 -37.67 80.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-O 118.84 -0.6 . . . . 0.0 111.841 173.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -66.84 -37.64 84.88 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 120.222 1.373 . . . . 0.0 111.887 -177.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -70.17 -28.32 65.24 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 171.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.0 tp -62.59 -42.36 99.51 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 119.524 1.056 . . . . 0.0 111.686 170.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 15.9 mm -62.06 -45.22 99.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 O-C-N 121.707 -0.621 . . . . 0.0 110.531 177.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -60.06 -43.42 95.43 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.365 0.666 . . . . 0.0 111.882 176.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 66.6 t60 -58.48 -44.46 89.35 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.94 0.896 . . . . 0.0 112.504 172.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 54.4 mt -62.94 -45.38 99.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 O-C-N 121.566 -0.709 . . . . 0.0 111.065 175.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -63.05 -28.5 70.13 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 177.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -90.68 -45.9 8.58 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.236 1.014 . . . . 0.0 113.435 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -99.26 -25.63 14.44 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.726 1.21 . . . . 0.0 114.13 -172.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -130.7 28.29 4.88 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.673 1.589 . . . . 0.0 112.771 -172.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -34.57 114.71 0.48 Allowed Pre-proline 0 CA--C 1.555 1.141 0 C-N-CA 127.563 2.345 . . . . 0.0 115.054 -169.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -85.06 60.26 5.61 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 123.712 2.941 . . . . 0.0 113.101 -169.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -89.17 -10.51 46.88 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.418 1.487 . . . . 0.0 113.951 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 25.3 t0 . . . . . 0 C--O 1.253 1.267 0 C-N-CA 127.614 2.366 . . . . 0.0 114.866 179.688 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.595 0 N-CA-C 112.133 -0.387 . . . . 0.0 112.133 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.4 t -149.5 150.41 32.27 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.069 1.348 . . . . 0.0 111.85 178.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.2 m -76.36 -12.68 60.1 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.69 1.196 . . . . 0.0 113.268 171.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.07 -169.57 50.86 Favored Glycine 0 CA--C 1.537 1.463 0 C-N-CA 124.733 1.158 . . . . 0.0 114.076 -176.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.4 t -74.24 148.22 41.72 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.031 0.933 . . . . 0.0 112.575 178.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.5 m -70.94 -17.26 62.69 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.116 0.967 . . . . 0.0 112.89 169.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.85 144.72 4.27 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 125.831 1.682 . . . . 0.0 113.073 176.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt 49.6 60.48 15.32 Favored Pre-proline 0 N--CA 1.48 1.028 0 C-N-CA 126.505 1.922 . . . . 0.0 113.66 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -61.61 -32.12 87.25 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 124.377 3.384 . . . . 0.0 115.402 -176.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -81.92 105.65 13.21 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.574 0.75 . . . . 0.0 111.03 -175.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -99.9 149.02 23.84 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.264 1.425 . . . . 0.0 112.357 -176.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.3 t -76.84 134.84 68.19 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 123.684 0.794 . . . . 0.0 110.169 169.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -77.58 -8.54 17.12 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 123.737 2.958 . . . . 0.0 112.341 173.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -115.13 -25.71 7.98 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -171.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.8 p -142.75 -174.57 4.2 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 174.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.8 p -75.02 0.78 14.79 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.403 1.481 . . . . 0.0 114.692 -178.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -60.13 145.31 47.28 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.946 1.298 . . . . 0.0 114.017 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -146.91 152.16 38.23 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.097 1.359 . . . . 0.0 111.823 171.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.4 t -146.62 168.07 22.18 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.558 1.143 . . . . 0.0 112.523 172.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.65 -0.99 57.88 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.334 1.453 . . . . 0.0 114.332 177.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 56.4 mt -135.24 135.49 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 125.236 1.414 . . . . 0.0 110.248 -170.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -63.23 -40.02 96.28 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.952 0.901 . . . . 0.0 112.743 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.97 -36.01 76.2 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.724 0.81 . . . . 0.0 113.032 174.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -71.03 -26.4 63.09 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.447 -0.783 . . . . 0.0 112.386 175.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.5 tp -75.82 -44.86 39.0 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 119.006 0.821 . . . . 0.0 111.087 169.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -54.36 -46.57 73.01 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 118.966 0.803 . . . . 0.0 111.606 176.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.25 -34.12 64.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 123.395 0.678 . . . . 0.0 112.381 -176.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -67.57 -40.08 84.9 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.575 1.15 . . . . 0.0 112.836 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 61.8 mt -61.51 -21.86 64.6 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.06 0.944 . . . . 0.0 113.358 -178.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.0 mtp85 -58.17 -22.93 53.47 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.809 1.644 . . . . 0.0 114.279 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -83.03 -23.1 33.38 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 178.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 -87.18 -7.46 57.92 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -172.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.8 p -70.54 146.35 50.23 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 121.093 -1.004 . . . . 0.0 113.236 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 163.29 -173.51 39.45 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 124.424 1.011 . . . . 0.0 112.985 -176.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -74.71 127.32 32.86 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.973 -0.722 . . . . 0.0 112.018 176.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -118.07 111.27 18.68 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.87 1.268 . . . . 0.0 111.16 177.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -91.83 106.36 18.41 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 126.318 1.847 . . . . 0.0 109.384 178.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.02 144.82 25.13 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.704 1.201 . . . . 0.0 113.089 -175.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.1 t -68.77 141.49 55.19 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 122.217 1.008 . . . . 0.0 111.81 171.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -82.78 -7.24 59.67 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.919 0.887 . . . . 0.0 111.892 174.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -120.04 -25.96 5.66 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.704 1.202 . . . . 0.0 113.804 -171.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 29.5 p -139.19 -177.91 5.12 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 169.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.1 m -72.66 3.36 5.12 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.299 1.439 . . . . 0.0 114.045 176.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -60.2 145.45 47.11 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.196 0.998 . . . . 0.0 113.127 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.7 p -142.84 149.65 38.85 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 125.486 1.515 . . . . 0.0 112.004 173.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 18.6 t -140.23 152.16 45.73 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.663 1.185 . . . . 0.0 112.208 -178.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -83.57 -7.8 59.45 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.503 1.121 . . . . 0.0 112.713 172.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.8 m -129.07 124.79 35.73 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.881 1.672 . . . . 0.0 112.016 -176.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -66.11 -37.15 85.03 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.181 1.392 . . . . 0.0 113.337 -173.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.19 -34.95 91.0 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 123.569 0.604 . . . . 0.0 113.344 177.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -74.23 -31.81 62.74 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.407 -1.055 . . . . 0.0 112.237 175.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 54.6 tp -60.52 -43.04 97.53 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 119.389 0.995 . . . . 0.0 111.239 169.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -58.16 -53.16 61.43 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.885 -0.509 . . . . 0.0 110.28 175.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 69.8 t -61.24 -36.95 76.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -55.77 -43.47 76.77 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.327 0.651 . . . . 0.0 111.883 173.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 78.7 mt -72.03 -37.29 59.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 O-C-N 120.873 -1.142 . . . . 0.0 111.062 175.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -69.9 -10.98 60.47 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.441 1.274 . . . . 0.0 114.441 177.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.7 ptt180 -114.68 -39.97 3.66 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 179.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.3 t -92.24 -45.36 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 C-N-CA 122.641 0.376 . . . . 0.0 111.306 -175.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 65.5 m-70 -110.48 22.92 14.89 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.041 1.336 . . . . 0.0 114.23 -172.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.75 137.12 53.79 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.409 1.084 . . . . 0.0 110.83 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 83.4 tttt 56.22 75.93 0.32 Allowed 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 126.669 1.988 . . . . 0.0 112.431 -170.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 11.9 tt -141.04 157.0 22.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.837 1.655 . . . . 0.0 111.469 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -87.43 165.24 15.7 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.334 1.454 . . . . 0.0 112.537 171.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.0 mp0 -129.25 169.79 14.39 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.988 1.715 . . . . 0.0 112.338 -175.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -132.26 147.3 52.4 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.206 1.003 . . . . 0.0 111.873 167.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 52.8 t -72.43 130.36 40.52 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.501 1.521 . . . . 0.0 111.443 175.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.97 -17.17 61.04 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 179.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -91.47 -40.57 11.33 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.318 1.047 . . . . 0.0 112.818 -176.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.6 p -128.98 0.77 5.29 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 115.377 1.621 . . . . 0.0 115.377 -174.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 60.42 17.37 7.15 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 126.722 2.009 . . . . 0.0 114.309 175.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -67.42 134.67 51.85 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.426 1.49 . . . . 0.0 110.301 170.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -87.2 142.85 27.6 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.55 0.74 . . . . 0.0 112.301 177.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -128.1 132.07 49.0 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.631 1.172 . . . . 0.0 111.313 -177.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.8 m -79.83 -20.03 47.03 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.588 1.155 . . . . 0.0 113.727 -176.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -138.31 130.7 28.96 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.761 1.624 . . . . 0.0 109.922 176.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.19 -35.25 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -174.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -58.77 -36.02 73.71 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 121.182 -0.949 . . . . 0.0 112.462 178.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -78.37 -25.25 46.22 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 175.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.1 tp -64.39 -43.68 93.71 Favored 'General case' 0 CA--C 1.537 0.442 0 CA-C-N 119.16 0.891 . . . . 0.0 110.896 169.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 17.1 mm -61.3 -45.18 99.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 O-C-N 121.731 -0.606 . . . . 0.0 110.511 176.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -61.16 -43.08 99.44 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.056 0.942 . . . . 0.0 111.939 177.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 59.6 t60 -59.92 -44.36 94.35 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.267 1.027 . . . . 0.0 112.55 171.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 58.1 mt -60.81 -46.92 95.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 O-C-N 121.64 -0.662 . . . . 0.0 110.712 176.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -62.07 -38.14 87.66 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 175.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -81.74 -40.11 23.2 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 -177.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -101.69 -29.94 11.62 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -171.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -123.56 -5.32 8.17 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 -171.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 18.38 72.15 0.21 Allowed Pre-proline 0 CA--C 1.553 1.096 0 C-N-CA 130.446 3.498 . . . . 0.0 116.26 178.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -64.74 145.84 87.31 Favored 'Trans proline' 0 CA--C 1.538 0.686 0 C-N-CA 123.697 2.931 . . . . 0.0 112.679 -177.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -106.1 0.35 25.4 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.91 1.284 . . . . 0.0 113.829 -172.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.2 t70 . . . . . 0 C--O 1.253 1.276 0 C-N-CA 126.566 1.947 . . . . 0.0 112.58 -179.722 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.648 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.4 m -72.31 143.02 48.84 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.249 1.02 . . . . 0.0 112.912 -176.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m -56.21 -31.92 63.92 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.478 1.511 . . . . 0.0 114.633 -174.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.83 -7.46 87.39 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 124.448 1.023 . . . . 0.0 115.126 177.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.4 m -127.83 -34.06 2.2 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -171.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -156.76 164.2 38.38 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.239 0.927 . . . . 0.0 113.377 -175.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.19 179.23 51.82 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 125.368 1.461 . . . . 0.0 116.161 170.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt 49.69 57.21 18.07 Favored Pre-proline 0 N--CA 1.481 1.079 0 C-N-CA 127.424 2.29 . . . . 0.0 114.36 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -64.61 -29.42 60.78 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 124.553 3.502 . . . . 0.0 115.806 -177.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -87.55 106.22 17.85 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.185 0.594 . . . . 0.0 111.192 -176.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -100.91 150.19 23.11 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 125.274 1.43 . . . . 0.0 112.035 -178.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.2 t -76.2 137.13 68.58 Favored Pre-proline 0 CA--C 1.548 0.875 0 C-N-CA 124.3 1.04 . . . . 0.0 110.521 170.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -77.71 -11.48 16.88 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 123.905 3.07 . . . . 0.0 112.456 174.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -111.7 -26.96 8.73 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -173.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.0 p -141.76 -176.81 4.91 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 177.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.5 p -73.73 0.46 12.92 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.32 1.448 . . . . 0.0 114.623 -177.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -60.07 143.46 52.0 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.908 1.283 . . . . 0.0 113.778 178.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.12 152.93 35.53 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.699 1.2 . . . . 0.0 112.243 169.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 t -147.11 170.68 16.68 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.829 1.251 . . . . 0.0 112.614 177.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -92.55 -0.94 57.27 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.502 1.521 . . . . 0.0 114.242 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 65.6 mt -135.9 134.19 50.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.354 1.462 . . . . 0.0 109.9 -170.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -63.04 -38.87 92.9 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 121.537 -0.727 . . . . 0.0 112.577 178.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.04 -34.31 74.67 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.958 0.903 . . . . 0.0 113.212 175.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -68.4 -37.97 80.86 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.44 -0.787 . . . . 0.0 111.314 173.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 54.9 tp -65.7 -45.23 83.59 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.24 -0.913 . . . . 0.0 111.521 171.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -54.5 -46.42 73.45 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.276 0.944 . . . . 0.0 111.668 176.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.29 -35.96 70.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 123.183 0.593 . . . . 0.0 112.255 -176.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -65.53 -41.93 92.56 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.05 0.94 . . . . 0.0 112.635 178.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 61.6 mt -60.65 -21.26 62.59 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.28 1.032 . . . . 0.0 113.276 -178.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -57.16 -30.26 64.31 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.687 1.195 . . . . 0.0 113.413 179.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -75.33 -21.34 58.47 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 177.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -89.25 11.81 17.8 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 126.15 1.78 . . . . 0.0 113.879 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 53.8 p -80.96 169.02 18.06 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.938 1.295 . . . . 0.0 113.55 -176.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.29 73.86 1.22 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.095 -1.202 . . . . 0.0 110.095 -169.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -139.55 159.37 42.32 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 126.564 1.945 . . . . 0.0 111.468 -168.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -73.15 109.59 6.8 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 122.195 0.998 . . . . 0.0 111.354 173.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -91.47 120.86 32.67 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 125.301 1.441 . . . . 0.0 108.739 169.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.57 148.33 25.54 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.022 0.929 . . . . 0.0 113.282 177.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.3 t -64.31 142.12 58.53 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 122.81 1.29 . . . . 0.0 111.457 169.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -77.22 -8.28 57.3 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 114.733 -1.121 . . . . 0.0 112.153 175.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -125.36 -25.64 3.73 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 -169.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 26.7 p -137.82 -177.96 5.04 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 169.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.0 m -74.39 4.44 5.91 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.439 1.496 . . . . 0.0 114.057 177.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -60.57 149.07 35.87 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.315 1.046 . . . . 0.0 112.831 178.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 47.9 p -141.5 153.59 45.01 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.967 1.307 . . . . 0.0 112.682 173.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 7.7 t -148.25 153.17 38.36 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.195 0.998 . . . . 0.0 112.329 175.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 97.3 mt -82.59 -2.51 53.98 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.736 1.214 . . . . 0.0 113.623 171.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.2 t -126.65 121.78 33.11 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.678 1.591 . . . . 0.0 110.664 177.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -65.98 -30.82 71.44 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.655 1.182 . . . . 0.0 112.707 176.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.31 -38.22 71.03 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 123.644 0.64 . . . . 0.0 112.889 174.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 60.3 m80 -68.75 -39.79 80.13 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.448 -1.03 . . . . 0.0 112.594 172.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 62.8 tp -59.14 -39.52 82.66 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.174 0.99 . . . . 0.0 112.169 170.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -57.58 -53.75 54.58 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 118.449 -0.786 . . . . 0.0 110.32 169.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 85.3 t -55.13 -40.63 55.99 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-N 119.351 0.978 . . . . 0.0 112.371 177.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -56.63 -45.92 81.26 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 118.789 0.722 . . . . 0.0 112.063 175.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 91.9 mt -72.26 -38.72 62.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 O-C-N 120.696 -1.253 . . . . 0.0 111.463 178.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -69.68 -11.75 61.09 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.506 1.522 . . . . 0.0 113.451 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -114.83 -42.39 3.24 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.727 1.211 . . . . 0.0 114.23 176.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.3 t -88.99 -47.31 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 118.251 0.478 . . . . 0.0 111.109 -174.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -105.59 23.45 13.81 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.454 1.502 . . . . 0.0 113.587 -175.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -66.61 148.57 51.72 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.408 1.483 . . . . 0.0 111.183 175.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt 58.8 70.05 0.68 Allowed 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 127.406 2.282 . . . . 0.0 112.566 -169.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 7.7 tt -141.45 172.82 9.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 126.646 1.978 . . . . 0.0 111.802 -173.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -81.18 149.74 28.96 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.45 1.5 . . . . 0.0 113.482 172.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.6 mp0 -142.19 174.46 10.59 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 127.06 2.144 . . . . 0.0 111.224 175.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -134.91 150.78 50.46 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.769 0.828 . . . . 0.0 112.601 167.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 50.8 t -77.28 131.98 38.42 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.92 1.688 . . . . 0.0 111.956 176.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.51 -15.19 60.42 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -93.0 -37.54 12.14 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.221 1.009 . . . . 0.0 112.913 -177.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 23.8 p -131.46 0.18 4.03 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 115.512 1.671 . . . . 0.0 115.512 -173.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt 56.65 19.05 4.01 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 126.317 1.847 . . . . 0.0 115.022 -178.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -65.95 136.52 56.2 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.466 1.106 . . . . 0.0 110.144 169.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 62.8 mtpt -87.77 141.31 28.7 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.696 0.798 . . . . 0.0 111.98 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -125.14 157.9 35.25 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 125.992 1.717 . . . . 0.0 111.312 -177.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.5 t -118.49 5.15 11.72 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.974 1.309 . . . . 0.0 113.887 -175.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -153.52 135.37 14.58 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 125.905 1.682 . . . . 0.0 108.445 168.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.9 p -59.66 -37.38 70.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-O 118.812 -0.613 . . . . 0.0 111.181 177.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -63.64 -36.92 85.43 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.517 1.053 . . . . 0.0 111.876 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -74.09 -27.2 60.78 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 174.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.8 tp -64.47 -42.1 96.11 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.965 0.802 . . . . 0.0 111.336 169.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 15.0 mm -61.7 -46.58 96.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 O-C-N 121.728 -0.608 . . . . 0.0 110.377 174.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -57.7 -41.9 82.65 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.333 1.053 . . . . 0.0 111.991 178.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 60.0 t60 -61.37 -44.92 96.34 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.502 1.121 . . . . 0.0 112.979 171.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 57.9 mt -63.21 -42.0 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 O-C-N 121.321 -0.862 . . . . 0.0 110.83 176.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 77.4 mtp85 -65.06 -21.69 66.86 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 114.638 1.348 . . . . 0.0 114.638 174.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -97.4 -42.36 7.78 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.598 1.159 . . . . 0.0 113.66 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.29 -25.44 11.48 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.929 1.292 . . . . 0.0 114.319 -170.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -126.48 27.25 6.19 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.413 1.485 . . . . 0.0 112.564 -174.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -57.55 139.34 81.21 Favored Pre-proline 0 CA--C 1.55 0.959 0 C-N-CA 126.224 1.809 . . . . 0.0 115.312 -169.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -81.24 147.91 16.46 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 124.04 3.16 . . . . 0.0 112.134 175.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -132.17 17.11 4.55 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.292 1.437 . . . . 0.0 113.156 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 C--O 1.254 1.337 0 C-N-CA 126.524 1.929 . . . . 0.0 112.571 178.884 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.538 0 N-CA-C 111.776 -0.53 . . . . 0.0 111.776 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.0 p -81.66 -12.0 58.85 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -178.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -145.63 174.31 11.29 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 126.202 1.801 . . . . 0.0 111.188 177.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.71 -34.46 1.63 Allowed Glycine 0 CA--C 1.538 1.494 0 C-N-CA 125.855 1.693 . . . . 0.0 114.985 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.2 m -77.1 -22.64 52.44 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.489 1.116 . . . . 0.0 113.065 172.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.8 m -81.38 165.17 21.56 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.681 1.592 . . . . 0.0 112.872 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.35 152.5 33.65 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 123.788 0.709 . . . . 0.0 113.072 171.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.6 mttt 48.48 61.43 13.95 Favored Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 125.35 1.46 . . . . 0.0 112.386 -169.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.12 -28.93 88.01 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 124.797 3.665 . . . . 0.0 115.28 -175.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -87.2 101.71 13.77 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.438 0.695 . . . . 0.0 110.992 -177.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -97.55 150.13 21.45 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.516 1.527 . . . . 0.0 111.623 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.1 t -75.97 136.44 69.83 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 124.104 0.962 . . . . 0.0 110.499 170.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -77.6 -10.52 17.19 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 123.874 3.049 . . . . 0.0 112.293 174.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -112.28 -27.38 8.34 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 -173.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.2 p -143.73 -177.49 5.44 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.523 0.935 . . . . 0.0 113.523 178.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.8 m -71.56 -0.3 10.31 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.219 1.408 . . . . 0.0 114.566 -177.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -62.28 145.89 52.48 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.014 1.326 . . . . 0.0 113.921 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -151.13 156.41 40.94 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.635 1.174 . . . . 0.0 111.926 169.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.0 t -146.8 167.07 24.79 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.749 1.22 . . . . 0.0 112.575 173.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.39 -2.15 57.79 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.268 1.427 . . . . 0.0 114.558 175.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 56.1 mt -133.81 135.0 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 125.148 1.379 . . . . 0.0 110.363 -171.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -62.85 -39.8 95.5 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.01 0.924 . . . . 0.0 112.64 177.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.11 -35.64 75.68 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.775 0.83 . . . . 0.0 113.101 173.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -71.57 -25.84 62.37 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.395 -0.816 . . . . 0.0 112.438 175.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.2 tp -76.38 -44.7 35.11 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.404 -0.81 . . . . 0.0 111.035 168.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -53.53 -48.12 69.35 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.237 0.926 . . . . 0.0 111.328 176.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.35 -33.9 66.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 123.467 0.707 . . . . 0.0 112.39 -176.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -68.79 -40.8 79.42 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.409 1.083 . . . . 0.0 112.51 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 71.1 mt -63.1 -26.75 68.97 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.689 0.796 . . . . 0.0 112.311 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -54.38 -23.35 15.26 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 125.02 1.328 . . . . 0.0 113.977 175.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 59.4 mttt -83.35 -26.51 30.45 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.911 1.285 . . . . 0.0 113.081 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -81.73 -9.49 59.62 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.539 1.136 . . . . 0.0 113.427 171.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 37.2 p -104.81 -146.69 0.38 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 126.045 1.738 . . . . 0.0 110.95 176.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.01 22.66 9.12 Favored Glycine 0 CA--C 1.534 1.255 0 O-C-N 121.166 -0.959 . . . . 0.0 115.224 174.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -115.15 141.91 47.37 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.699 1.6 . . . . 0.0 110.534 172.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -81.0 108.76 14.96 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.691 0.758 . . . . 0.0 111.86 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -101.69 122.47 43.96 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.413 1.485 . . . . 0.0 109.558 169.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.4 146.85 23.84 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.672 1.189 . . . . 0.0 112.738 174.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.7 t -66.42 142.44 57.58 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 122.216 1.008 . . . . 0.0 111.569 171.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -81.94 -5.0 57.93 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.777 0.831 . . . . 0.0 112.03 175.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -121.96 -26.56 4.76 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.653 1.181 . . . . 0.0 113.668 -170.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.4 p -140.67 -178.55 5.58 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.33 1.052 . . . . 0.0 113.246 171.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.7 m -72.64 4.04 4.38 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.305 1.442 . . . . 0.0 114.151 177.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -61.63 148.49 42.31 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.358 1.063 . . . . 0.0 113.152 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.0 p -142.59 149.84 39.54 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 125.239 1.416 . . . . 0.0 111.848 174.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.7 t -147.38 152.67 38.55 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.638 0.775 . . . . 0.0 112.26 176.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -78.43 -2.44 38.41 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.524 1.529 . . . . 0.0 112.878 175.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.9 t -132.11 126.38 33.58 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.903 1.681 . . . . 0.0 111.902 177.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.7 pttt -64.92 -30.96 71.98 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.933 1.293 . . . . 0.0 112.733 171.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.69 -37.12 76.47 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 123.655 0.645 . . . . 0.0 112.692 177.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -73.56 -35.57 65.5 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.386 1.093 . . . . 0.0 112.023 170.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.8 tp -61.24 -38.11 85.48 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.509 -0.744 . . . . 0.0 112.336 174.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -57.28 -49.15 76.99 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.721 -0.612 . . . . 0.0 110.956 171.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.46 -39.2 83.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 123.111 0.565 . . . . 0.0 111.683 177.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 65.1 t60 -58.11 -44.21 87.57 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.513 0.725 . . . . 0.0 111.979 174.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 80.9 mt -70.92 -40.71 76.75 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 O-C-N 120.727 -1.233 . . . . 0.0 111.018 177.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -68.81 -16.0 63.66 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.966 1.306 . . . . 0.0 113.947 179.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -106.1 -40.77 5.55 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 176.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.0 t -92.97 -46.37 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 118.175 0.443 . . . . 0.0 111.555 -174.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -107.96 14.03 25.65 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 115.151 1.537 . . . . 0.0 115.151 -170.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.78 122.62 18.08 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.599 1.56 . . . . 0.0 110.355 178.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 68.5 mttm 48.59 53.46 12.13 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 126.069 1.747 . . . . 0.0 113.4 -171.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 15.9 tt -60.09 147.1 9.65 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 C-N-CA 124.445 1.098 . . . . 0.0 111.46 169.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -68.02 154.87 40.72 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.004 0.922 . . . . 0.0 112.241 176.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -130.48 172.73 11.57 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 126.337 1.855 . . . . 0.0 110.986 -177.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -138.48 154.05 48.81 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 170.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.8 t -73.66 140.83 46.38 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.604 1.962 . . . . 0.0 113.006 177.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.23 -3.31 58.6 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.623 1.169 . . . . 0.0 113.791 176.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -108.81 -34.42 6.67 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.317 1.047 . . . . 0.0 113.286 -178.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 22.0 p -131.59 4.32 4.26 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 -177.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? 58.66 12.03 2.02 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 126.692 1.997 . . . . 0.0 115.385 179.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -64.71 139.06 58.72 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.049 1.34 . . . . 0.0 111.355 175.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -86.29 145.03 27.1 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.341 1.057 . . . . 0.0 112.111 176.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -132.01 141.61 49.31 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.042 1.737 . . . . 0.0 112.902 -172.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.5 p -76.78 -23.52 52.9 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.002 1.721 . . . . 0.0 114.484 -173.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -148.43 145.64 28.09 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 126.511 1.924 . . . . 0.0 108.418 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.5 p -58.19 -37.86 64.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 CA-C-O 118.698 -0.668 . . . . 0.0 111.373 173.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -63.82 -34.71 78.54 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 119.837 1.198 . . . . 0.0 112.39 177.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -70.88 -33.95 71.11 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 122.778 0.431 . . . . 0.0 111.917 174.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.93 -40.7 98.44 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.031 0.532 . . . . 0.0 111.946 172.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 13.9 mm -61.57 -46.51 96.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 CA-C-N 118.446 0.567 . . . . 0.0 110.282 176.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -59.9 -40.44 88.81 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.637 0.775 . . . . 0.0 112.02 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 58.9 t60 -60.72 -44.65 96.35 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.002 0.921 . . . . 0.0 112.976 170.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 56.7 mt -63.56 -42.79 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 O-C-N 121.258 -0.901 . . . . 0.0 110.858 176.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 71.3 mtp85 -66.0 -19.76 65.96 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 174.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -97.71 -41.86 7.89 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.398 1.079 . . . . 0.0 113.626 178.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.24 -26.02 11.24 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.974 1.31 . . . . 0.0 114.52 -171.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -127.85 27.74 5.68 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.33 1.452 . . . . 0.0 112.51 -173.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -62.15 148.62 88.6 Favored Pre-proline 0 CA--C 1.552 1.041 0 N-CA-C 115.703 1.742 . . . . 0.0 115.703 -168.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -91.22 16.23 1.6 Allowed 'Trans proline' 0 CA--C 1.546 1.079 0 C-N-CA 124.88 3.72 . . . . 0.0 114.202 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 60.8 39.85 16.66 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 126.565 1.946 . . . . 0.0 113.368 -169.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.3 t70 . . . . . 0 C--O 1.252 1.192 0 C-N-CA 126.131 1.773 . . . . 0.0 112.852 172.53 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.558 0 N-CA-C 111.778 -0.529 . . . . 0.0 111.778 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.6 p -76.98 159.04 30.25 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.66 1.184 . . . . 0.0 113.199 177.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.0 p -143.12 153.01 42.46 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.445 1.498 . . . . 0.0 111.816 178.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.25 -44.86 1.68 Allowed Glycine 0 CA--C 1.538 1.504 0 C-N-CA 125.434 1.492 . . . . 0.0 114.578 -177.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.5 p -85.87 -17.89 34.31 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.639 1.576 . . . . 0.0 114.15 176.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.1 t -74.7 148.26 40.71 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.494 1.118 . . . . 0.0 112.332 178.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.83 171.48 42.79 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 124.805 1.193 . . . . 0.0 113.608 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.9 mtmt 47.26 59.39 16.53 Favored Pre-proline 0 N--CA 1.481 1.119 0 C-N-CA 126.671 1.988 . . . . 0.0 113.478 -178.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -61.67 -31.58 86.53 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 124.267 3.311 . . . . 0.0 114.589 -176.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -88.66 100.03 12.79 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.293 0.637 . . . . 0.0 111.462 -170.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -95.6 150.49 20.28 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.165 1.786 . . . . 0.0 112.251 -177.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.7 t -76.92 135.92 66.96 Favored Pre-proline 0 CA--C 1.546 0.825 0 C-N-CA 124.765 1.226 . . . . 0.0 110.284 171.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -78.34 -8.52 16.25 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 123.918 3.079 . . . . 0.0 112.523 173.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -114.63 -24.39 8.79 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.538 1.135 . . . . 0.0 113.879 -171.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.4 p -143.58 -173.97 4.11 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 123.875 0.87 . . . . 0.0 113.344 172.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.1 p -75.41 0.31 17.39 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.554 1.541 . . . . 0.0 114.666 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -60.01 145.53 46.0 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.085 1.354 . . . . 0.0 114.046 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.28 152.87 37.87 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.104 1.361 . . . . 0.0 111.617 169.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.8 t -144.34 163.56 33.37 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.16 0.984 . . . . 0.0 112.796 173.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.78 0.62 57.39 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.481 1.512 . . . . 0.0 113.719 175.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.0 mt -128.29 128.49 68.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 125.504 1.522 . . . . 0.0 108.85 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -28.82 67.03 Favored 'General case' 0 N--CA 1.481 1.112 0 O-C-N 121.148 -0.97 . . . . 0.0 113.052 -179.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.12 -33.79 76.22 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 169.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -67.96 -38.71 83.08 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.407 -0.808 . . . . 0.0 111.289 172.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.7 tp -63.63 -45.07 91.89 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.157 -0.964 . . . . 0.0 111.907 171.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -55.58 -47.04 77.09 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.235 0.925 . . . . 0.0 111.712 175.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.97 -35.4 68.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 123.155 0.582 . . . . 0.0 112.205 -176.039 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -64.95 -38.01 89.54 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.264 1.026 . . . . 0.0 113.093 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.6 mt -61.92 -21.31 64.65 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 121.444 -0.785 . . . . 0.0 113.037 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.4 mtp85 -62.98 -20.83 65.65 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.606 1.162 . . . . 0.0 113.722 177.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.4 mttm -73.18 -33.96 65.74 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.537 1.535 . . . . 0.0 112.548 174.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -82.21 24.26 0.67 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.007 1.723 . . . . 0.0 114.84 -176.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.3 p -97.74 -178.28 4.06 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.504 1.522 . . . . 0.0 111.725 175.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.91 -146.37 18.1 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 124.014 0.816 . . . . 0.0 112.666 -177.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -69.25 126.57 30.2 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 117.941 0.87 . . . . 0.0 112.932 -173.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.4 mmtt -118.71 104.43 10.6 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 126.084 1.754 . . . . 0.0 110.14 -174.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -80.53 101.45 9.13 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 125.72 1.608 . . . . 0.0 109.307 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.3 144.16 25.88 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.753 1.221 . . . . 0.0 113.018 -174.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 45.8 t -67.79 141.35 56.56 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-O 122.108 0.956 . . . . 0.0 111.735 171.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -84.16 -5.06 59.19 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.831 0.853 . . . . 0.0 111.851 173.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -120.04 -26.73 5.49 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.959 1.304 . . . . 0.0 113.488 -170.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.0 p -139.98 -176.14 4.48 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.375 1.07 . . . . 0.0 113.005 170.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.1 m -75.64 5.86 5.57 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.215 1.406 . . . . 0.0 114.097 177.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -62.18 147.04 48.99 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.558 1.143 . . . . 0.0 113.003 -178.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 82.8 p -141.2 156.24 45.95 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 125.273 1.429 . . . . 0.0 112.333 169.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.4 t -143.51 158.64 43.49 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.158 0.983 . . . . 0.0 112.088 172.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -84.32 -3.66 58.39 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.61 1.164 . . . . 0.0 112.476 170.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.4 t -116.51 130.27 56.66 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.569 1.548 . . . . 0.0 111.873 175.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -68.84 -32.0 71.38 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.437 1.495 . . . . 0.0 111.825 175.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.56 -41.25 66.04 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.241 0.924 . . . . 0.0 112.691 174.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 61.8 m170 -66.75 -31.49 72.17 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.449 -1.03 . . . . 0.0 112.449 176.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 59.0 tp -61.71 -44.22 97.35 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.036 0.834 . . . . 0.0 111.978 170.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.6 tttt -60.57 -47.39 86.4 Favored 'General case' 0 N--CA 1.464 0.236 0 O-C-N 121.589 -0.695 . . . . 0.0 110.343 175.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 96.8 t -60.49 -42.4 91.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 CA-C-N 118.325 0.511 . . . . 0.0 111.721 177.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -56.03 -46.76 78.74 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.009 0.924 . . . . 0.0 112.377 175.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 87.0 mt -70.13 -41.43 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 O-C-N 120.876 -1.14 . . . . 0.0 111.016 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -66.5 -18.05 65.15 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.242 1.417 . . . . 0.0 114.154 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 32.0 ptt85 -107.03 -41.54 5.14 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.529 1.131 . . . . 0.0 114.003 177.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.3 t -91.68 -43.71 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 CA-C-N 118.257 0.481 . . . . 0.0 111.537 -173.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -109.49 17.25 21.6 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.915 1.286 . . . . 0.0 114.183 -172.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.3 tmmm? -81.73 153.9 26.3 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.769 1.628 . . . . 0.0 110.153 170.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt 58.04 49.34 11.76 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.054 1.342 . . . . 0.0 111.906 -168.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 14.0 tt -111.05 150.08 13.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 126.435 1.894 . . . . 0.0 110.59 174.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -71.61 124.77 25.45 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.535 0.734 . . . . 0.0 111.976 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -128.88 169.86 14.1 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 127.696 2.398 . . . . 0.0 110.382 179.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -131.78 151.86 51.37 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 169.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.5 t -72.93 132.86 44.01 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.971 1.708 . . . . 0.0 112.57 178.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.08 -3.99 53.78 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 177.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -105.13 -35.54 7.57 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.661 1.184 . . . . 0.0 113.155 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.9 p -132.93 1.64 3.6 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 -176.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt 57.11 16.34 2.88 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 126.288 1.835 . . . . 0.0 115.356 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -65.53 138.29 57.97 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.701 1.2 . . . . 0.0 110.522 170.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -89.46 143.7 26.62 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.119 0.967 . . . . 0.0 112.402 178.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -135.16 130.31 35.19 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.923 1.689 . . . . 0.0 111.279 -174.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.4 m -78.47 -7.01 56.98 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -174.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -143.97 145.41 32.22 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 125.329 1.452 . . . . 0.0 109.778 169.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.8 p -62.73 -40.76 89.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-O 118.728 -0.653 . . . . 0.0 110.589 174.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 42.6 mmtm -59.66 -37.06 77.71 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 119.839 1.2 . . . . 0.0 112.637 177.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -73.98 -29.48 62.0 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 176.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.5 tp -63.77 -41.05 98.05 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.676 -0.64 . . . . 0.0 111.597 169.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 16.3 mm -61.51 -44.5 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 O-C-N 121.717 -0.614 . . . . 0.0 110.271 174.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.28 -40.69 86.91 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.675 0.79 . . . . 0.0 111.933 178.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 52.2 t60 -62.27 -44.91 95.45 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.796 1.238 . . . . 0.0 112.985 170.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 49.1 mt -60.37 -42.79 92.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-N 119.094 0.861 . . . . 0.0 110.826 175.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 91.4 mtt-85 -67.21 -17.25 64.74 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 175.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -100.45 -41.17 7.11 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.521 1.128 . . . . 0.0 113.879 177.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.27 -27.07 10.75 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.197 1.399 . . . . 0.0 114.5 -171.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -126.64 23.76 6.72 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.032 1.333 . . . . 0.0 113.322 -172.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -69.98 149.77 96.34 Favored Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 125.157 1.383 . . . . 0.0 114.49 -168.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -79.09 97.16 1.11 Allowed 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 123.999 3.132 . . . . 0.0 111.163 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -85.48 58.39 5.01 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.423 1.489 . . . . 0.0 112.015 -175.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.1 t70 . . . . . 0 C--O 1.252 1.215 0 C-N-CA 126.574 1.95 . . . . 0.0 112.906 -178.826 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.572 0 N-CA-C 111.732 -0.547 . . . . 0.0 111.732 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.0 m -67.36 151.95 46.55 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.546 1.138 . . . . 0.0 113.102 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.9 p -73.9 157.3 36.53 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.689 1.196 . . . . 0.0 112.948 174.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.89 157.51 53.08 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.161 0.886 . . . . 0.0 113.82 178.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.5 m -79.04 52.72 1.31 Allowed 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.709 1.603 . . . . 0.0 113.241 -175.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 t -68.71 -34.06 75.0 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.46 1.104 . . . . 0.0 113.35 -174.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.87 -112.1 4.5 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.668 1.128 . . . . 0.0 113.272 176.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.1 mttp 56.77 63.12 5.64 Favored Pre-proline 0 N--CA 1.48 1.05 0 C-N-CA 126.963 2.105 . . . . 0.0 113.716 177.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -62.63 -29.06 77.43 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 124.642 3.561 . . . . 0.0 115.475 -178.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -86.97 103.3 15.2 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.286 0.634 . . . . 0.0 111.163 -177.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -98.53 149.82 22.33 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 125.21 1.404 . . . . 0.0 111.992 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.8 t -76.38 136.23 68.58 Favored Pre-proline 0 CA--C 1.548 0.877 0 C-N-CA 124.273 1.029 . . . . 0.0 110.339 169.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -78.21 -11.05 16.29 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 123.982 3.121 . . . . 0.0 112.333 173.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -110.24 -27.05 9.29 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 -173.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.2 p -143.25 -176.07 4.78 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 177.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.6 p -73.91 -0.13 15.15 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.218 1.407 . . . . 0.0 114.619 -178.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -60.79 144.75 51.88 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.934 1.294 . . . . 0.0 113.82 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.47 155.73 40.86 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.559 1.144 . . . . 0.0 112.192 169.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.3 t -142.25 160.72 39.69 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.445 1.498 . . . . 0.0 112.441 178.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.83 -5.36 59.25 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.921 1.289 . . . . 0.0 113.69 170.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 61.2 mt -130.54 128.57 63.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 124.981 1.312 . . . . 0.0 110.219 -172.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -59.99 -39.15 84.74 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.923 0.889 . . . . 0.0 112.919 179.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.54 -33.83 74.5 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 174.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -76.27 -20.79 57.03 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.521 -0.737 . . . . 0.0 112.365 175.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.0 tp -78.39 -44.73 24.16 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.179 0.899 . . . . 0.0 110.748 166.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -53.76 -47.63 70.52 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.193 0.906 . . . . 0.0 111.777 176.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.8 -33.65 64.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 123.761 0.824 . . . . 0.0 112.339 -177.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -68.69 -39.08 80.69 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.63 1.172 . . . . 0.0 112.417 178.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 65.8 mt -64.84 -23.68 67.31 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.973 0.909 . . . . 0.0 112.679 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -57.75 -34.95 70.09 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.027 0.931 . . . . 0.0 112.385 174.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.7 mttt -67.96 -29.38 68.41 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.348 1.459 . . . . 0.0 112.449 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -82.33 0.44 41.71 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.469 1.507 . . . . 0.0 114.896 177.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 67.4 p -75.09 160.54 30.35 Favored 'General case' 0 N--CA 1.481 1.1 0 O-C-N 120.931 -1.106 . . . . 0.0 113.773 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.86 143.35 7.74 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 124.827 1.203 . . . . 0.0 112.618 -173.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -138.67 148.07 43.58 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.623 1.169 . . . . 0.0 113.347 -170.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -89.93 108.65 19.84 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.058 0.943 . . . . 0.0 109.72 168.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -85.68 107.0 17.36 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 125.833 1.653 . . . . 0.0 109.383 177.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.29 144.84 24.99 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.731 1.212 . . . . 0.0 112.718 -176.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.3 t -67.83 139.9 56.57 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 122.182 0.992 . . . . 0.0 111.582 171.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -83.22 -4.98 58.96 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.774 0.83 . . . . 0.0 111.776 173.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -119.61 -26.21 5.79 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.994 1.318 . . . . 0.0 113.434 -170.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.1 p -141.39 -175.69 4.45 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.492 1.117 . . . . 0.0 113.159 169.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.2 m -74.2 3.91 6.46 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.365 1.466 . . . . 0.0 114.081 176.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -61.2 147.2 45.04 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.233 1.013 . . . . 0.0 113.339 -178.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.3 p -144.0 149.46 36.75 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.386 1.474 . . . . 0.0 112.23 173.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.8 t -145.49 154.32 42.09 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.228 1.011 . . . . 0.0 112.025 174.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -83.83 -3.66 58.05 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.464 1.105 . . . . 0.0 113.132 176.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.5 m -124.31 127.43 47.61 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.419 1.488 . . . . 0.0 111.526 178.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -69.48 -33.98 73.68 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.334 1.053 . . . . 0.0 113.053 -174.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.15 -35.4 91.66 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 123.923 0.773 . . . . 0.0 113.049 173.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 63.5 m170 -72.26 -32.2 66.46 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.363 -1.08 . . . . 0.0 112.129 175.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.7 tp -62.42 -43.4 98.91 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.077 0.853 . . . . 0.0 111.271 169.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -57.71 -50.11 74.28 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.771 -0.581 . . . . 0.0 111.025 173.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 83.5 t -60.04 -40.25 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 CA-C-N 118.767 0.712 . . . . 0.0 111.93 177.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -56.97 -47.35 80.96 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.346 0.659 . . . . 0.0 111.676 175.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 84.2 mt -70.33 -40.31 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 120.836 -1.165 . . . . 0.0 111.304 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -68.62 -12.68 61.66 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.183 1.393 . . . . 0.0 114.318 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -113.87 -41.54 3.55 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 176.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.7 t -89.46 -47.49 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 123.016 0.527 . . . . 0.0 111.074 -174.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -104.21 21.46 16.49 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.431 1.492 . . . . 0.0 113.629 -176.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.2 tptt -66.81 151.85 46.7 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.338 1.455 . . . . 0.0 111.607 178.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? 60.56 66.36 0.94 Allowed 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 126.192 1.797 . . . . 0.0 112.22 -176.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 8.8 tt -143.45 172.2 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 126.696 1.999 . . . . 0.0 111.986 -169.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.22 134.94 55.74 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.26 1.424 . . . . 0.0 110.92 168.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -136.56 179.21 6.5 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.036 1.334 . . . . 0.0 113.824 -168.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 43.2 p-80 -131.68 147.4 52.51 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.888 1.275 . . . . 0.0 111.673 167.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 53.9 t -68.11 130.92 44.38 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.194 1.398 . . . . 0.0 112.064 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.64 -2.35 38.67 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 176.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -112.18 -36.14 5.42 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.643 1.177 . . . . 0.0 113.194 177.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.274 15.5 p -131.41 9.32 4.71 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 116.389 1.996 . . . . 0.0 116.389 -175.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 91.4 mttt 56.8 6.76 0.33 Allowed 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 127.888 2.475 . . . . 0.0 116.546 174.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.4 mttp -61.25 134.05 56.57 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 127.471 2.308 . . . . 0.0 111.238 172.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -82.82 140.68 32.81 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.56 0.744 . . . . 0.0 111.827 176.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -126.71 131.12 51.44 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.179 1.392 . . . . 0.0 111.363 -177.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.8 m -69.67 -13.41 62.29 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.959 1.304 . . . . 0.0 114.121 -173.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -148.99 141.84 24.65 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 125.358 1.463 . . . . 0.0 109.635 169.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.8 p -54.64 -38.44 42.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-O 118.694 -0.67 . . . . 0.0 111.547 171.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -60.58 -37.52 81.59 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.853 1.206 . . . . 0.0 112.174 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -76.45 -27.63 56.25 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 122.846 0.458 . . . . 0.0 112.196 175.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.5 tp -64.0 -41.06 97.61 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.605 -0.684 . . . . 0.0 111.522 169.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 19.3 mm -60.38 -44.92 97.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 CA-C-N 118.537 0.608 . . . . 0.0 110.112 175.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -42.04 87.57 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.819 0.847 . . . . 0.0 112.029 177.432 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -62.3 -44.21 97.03 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.813 1.245 . . . . 0.0 113.034 171.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 57.8 mt -63.4 -42.28 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 O-C-N 121.288 -0.882 . . . . 0.0 110.83 176.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -62.33 -23.07 66.55 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 173.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -97.22 -44.45 6.92 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.466 1.106 . . . . 0.0 113.869 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -105.72 -24.85 12.43 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.236 1.414 . . . . 0.0 114.235 -170.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 61.1 m-70 -127.54 30.09 5.4 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.344 1.458 . . . . 0.0 112.424 -175.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -54.79 139.9 60.57 Favored Pre-proline 0 CA--C 1.553 1.075 0 C-N-CA 125.81 1.644 . . . . 0.0 114.778 -169.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -78.3 156.33 29.23 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 123.795 2.997 . . . . 0.0 113.128 -175.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.01 3.43 53.44 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 125.22 1.408 . . . . 0.0 114.503 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--O 1.251 1.176 0 C-N-CA 126.408 1.883 . . . . 0.0 112.705 178.96 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.668 0 N-CA-C 111.471 -0.652 . . . . 0.0 111.471 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -62.16 -22.0 65.52 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 114.652 1.353 . . . . 0.0 114.652 -172.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.6 p -63.34 -21.46 66.28 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.984 1.313 . . . . 0.0 113.858 173.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.97 -3.17 90.68 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 124.922 1.249 . . . . 0.0 114.868 171.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.7 m 62.36 155.32 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 127.627 2.371 . . . . 0.0 114.923 -169.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 t -79.39 129.96 34.97 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.514 -0.741 . . . . 0.0 109.983 169.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.69 -133.95 51.41 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 123.217 0.437 . . . . 0.0 112.096 -170.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 51.05 61.36 13.29 Favored Pre-proline 0 N--CA 1.478 0.965 0 C-N-CA 126.036 1.735 . . . . 0.0 113.326 174.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -61.66 -29.48 83.95 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 124.543 3.496 . . . . 0.0 115.328 -175.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -86.09 102.41 13.82 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.296 0.638 . . . . 0.0 111.064 -177.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -98.06 149.81 22.09 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.522 1.529 . . . . 0.0 111.867 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.7 t -76.73 135.94 67.61 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 124.365 1.066 . . . . 0.0 110.323 170.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -77.88 -9.83 16.86 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 123.801 3.001 . . . . 0.0 112.45 174.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -114.43 -24.71 8.72 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -172.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.5 p -142.37 -175.53 4.48 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 174.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.4 p -74.49 0.14 15.7 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.399 1.479 . . . . 0.0 114.64 -178.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -59.95 145.14 47.13 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.974 1.309 . . . . 0.0 114.042 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.78 155.01 39.39 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.665 1.186 . . . . 0.0 112.139 169.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.6 t -147.41 167.21 24.94 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.837 1.255 . . . . 0.0 112.725 174.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.61 -2.49 58.65 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.246 1.419 . . . . 0.0 114.396 176.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 63.9 mt -132.24 133.84 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 125.233 1.413 . . . . 0.0 110.31 -171.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -63.1 -39.36 94.47 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.156 0.982 . . . . 0.0 112.881 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.09 -33.85 75.2 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.025 0.93 . . . . 0.0 113.127 175.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -68.52 -38.49 80.94 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.469 -0.769 . . . . 0.0 111.396 174.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.1 tp -64.99 -45.25 86.4 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.247 -0.908 . . . . 0.0 111.495 171.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -54.41 -47.25 72.99 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.248 0.931 . . . . 0.0 111.765 175.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.1 -35.18 67.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-O 121.102 0.477 . . . . 0.0 112.225 -176.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -65.91 -41.52 91.33 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.073 0.949 . . . . 0.0 112.582 177.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.7 mt -60.47 -21.91 62.91 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.339 1.056 . . . . 0.0 113.263 -178.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -55.57 -32.43 63.02 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.864 1.266 . . . . 0.0 113.235 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -74.25 -20.92 59.99 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -89.37 24.93 2.07 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 126.17 1.788 . . . . 0.0 113.342 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.1 p -103.5 165.2 11.18 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.366 1.467 . . . . 0.0 112.575 177.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.42 -159.19 14.15 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 124.8 1.19 . . . . 0.0 113.354 -178.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -69.61 136.93 51.84 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.824 -0.81 . . . . 0.0 112.813 -177.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt -109.29 104.73 13.91 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 125.731 1.612 . . . . 0.0 111.309 -174.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -91.32 115.92 28.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.438 -1.255 . . . . 0.0 109.608 174.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.5 146.19 24.78 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.264 1.025 . . . . 0.0 112.852 177.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.2 t -67.45 143.04 56.45 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 122.188 0.994 . . . . 0.0 111.727 171.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -82.45 -5.53 58.74 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.916 0.886 . . . . 0.0 112.053 175.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -121.62 -26.67 4.87 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.719 1.208 . . . . 0.0 113.674 -170.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.3 p -139.3 -176.61 4.59 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.427 1.091 . . . . 0.0 113.156 171.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.5 p -76.26 5.38 7.07 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.636 1.574 . . . . 0.0 114.363 176.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -60.22 146.35 43.94 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 123.945 0.898 . . . . 0.0 112.691 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 79.6 p -138.3 152.56 48.63 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 125.006 1.322 . . . . 0.0 112.064 170.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 10.8 t -141.3 153.37 45.14 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.033 0.933 . . . . 0.0 112.581 -174.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -90.45 0.8 57.16 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.118 1.367 . . . . 0.0 113.08 172.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.9 t -136.67 124.29 22.32 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.658 1.583 . . . . 0.0 111.186 174.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.3 pttt -62.27 -32.34 73.04 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.541 1.136 . . . . 0.0 112.501 172.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.85 -30.91 65.24 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 123.884 0.754 . . . . 0.0 113.361 176.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -78.09 -33.28 50.8 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.447 1.124 . . . . 0.0 112.147 169.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 66.4 tp -60.46 -38.83 85.45 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 121.461 -0.775 . . . . 0.0 111.894 172.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -55.47 -50.73 69.11 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 121.735 -0.603 . . . . 0.0 111.16 169.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.8 t -61.54 -39.12 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 122.864 0.465 . . . . 0.0 111.729 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -57.42 -45.99 84.02 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.388 0.675 . . . . 0.0 111.808 174.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.1 mt -70.34 -40.87 78.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 O-C-N 121.018 -1.051 . . . . 0.0 110.983 177.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -69.03 -13.59 62.54 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.345 1.458 . . . . 0.0 114.166 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -110.12 -41.74 4.36 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 175.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.5 t -90.25 -46.29 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 CA-C-N 118.301 0.501 . . . . 0.0 111.285 -173.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -105.21 19.05 21.27 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.104 1.362 . . . . 0.0 114.275 -173.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.13 129.82 38.58 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.605 1.562 . . . . 0.0 110.943 179.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.6 tptt 50.57 47.19 24.61 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 126.591 1.956 . . . . 0.0 113.593 -172.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 13.2 tt -67.02 160.07 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 125.219 1.408 . . . . 0.0 111.216 169.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -80.6 162.65 24.15 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.519 1.528 . . . . 0.0 112.214 170.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -129.55 171.15 12.88 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 126.411 1.884 . . . . 0.0 112.426 -174.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 42.7 p-80 -134.93 145.74 48.48 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.144 0.977 . . . . 0.0 111.708 167.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 41.4 t -75.29 128.24 34.97 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.432 1.493 . . . . 0.0 110.158 170.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -12.59 59.96 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 178.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -92.1 -33.86 14.59 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -176.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 29.3 p -130.57 2.27 4.53 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 115.25 1.574 . . . . 0.0 115.25 -178.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp 59.28 17.62 5.93 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 126.494 1.918 . . . . 0.0 114.854 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -69.59 134.63 49.01 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.076 1.35 . . . . 0.0 110.437 172.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -87.56 143.74 27.05 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.607 0.763 . . . . 0.0 111.9 176.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -127.52 137.22 52.57 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.29 1.436 . . . . 0.0 111.596 -175.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 36.4 m -88.57 -8.71 54.28 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.46 1.104 . . . . 0.0 113.64 -178.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -143.3 135.44 26.97 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 125.286 1.434 . . . . 0.0 109.802 173.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 10.0 p -59.85 -36.67 67.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-O 119.006 -0.521 . . . . 0.0 111.116 172.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -63.07 -34.52 77.76 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.454 1.024 . . . . 0.0 112.442 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -74.83 -32.01 61.84 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 122.965 0.506 . . . . 0.0 112.136 175.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.2 tp -62.34 -39.7 93.94 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.405 0.682 . . . . 0.0 112.004 172.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 16.9 mm -60.81 -51.05 77.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 118.458 0.572 . . . . 0.0 110.225 177.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.2 tttm -58.06 -43.04 86.69 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 176.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -56.48 -45.46 80.93 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.415 0.686 . . . . 0.0 112.137 174.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 66.9 mt -65.84 -45.36 91.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 O-C-N 121.493 -0.754 . . . . 0.0 110.936 176.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -64.46 -26.07 68.28 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 178.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -97.82 -37.73 9.73 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.482 1.113 . . . . 0.0 113.96 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.35 -23.16 12.32 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -173.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -126.25 25.4 6.65 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.583 1.553 . . . . 0.0 112.765 -175.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -51.47 138.29 29.83 Favored Pre-proline 0 CA--C 1.553 1.092 0 C-N-CA 126.227 1.811 . . . . 0.0 115.139 -173.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -55.5 161.69 7.21 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 124.87 3.713 . . . . 0.0 115.58 173.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 48.2 mm-40 59.71 31.97 21.17 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 126.026 1.731 . . . . 0.0 114.789 176.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.0 t70 . . . . . 0 C--O 1.254 1.315 0 C-N-CA 125.324 1.449 . . . . 0.0 113.411 172.486 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.627 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m -62.11 -21.82 65.31 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -171.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 m -73.47 -13.21 61.02 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.747 1.219 . . . . 0.0 114.044 176.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.47 -162.01 52.23 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 124.553 1.073 . . . . 0.0 113.939 -177.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.6 t -148.92 157.09 43.17 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.269 1.428 . . . . 0.0 111.429 177.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.6 m -68.16 134.63 50.83 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.463 1.105 . . . . 0.0 112.922 -176.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.8 172.1 55.21 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 124.284 0.945 . . . . 0.0 113.567 172.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -112.31 73.83 1.41 Allowed Pre-proline 0 CA--C 1.544 0.73 0 C-N-CA 127.791 2.437 . . . . 0.0 112.193 -178.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.491 ' HD2' ' HA ' ' A' ' 20' ' ' ALA . 53.0 Cg_endo -71.78 -27.88 17.51 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 124.268 3.312 . . . . 0.0 115.27 -177.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -82.65 98.38 9.0 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.407 0.549 . . . . 0.0 110.886 -175.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -92.05 148.64 22.03 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 126.076 1.75 . . . . 0.0 112.249 -178.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.1 t -76.73 133.45 70.17 Favored Pre-proline 0 CA--C 1.548 0.867 0 C-N-CA 124.365 1.066 . . . . 0.0 109.863 169.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -77.74 -6.65 16.22 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 123.982 3.122 . . . . 0.0 112.217 172.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -113.75 -28.24 7.51 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.815 1.246 . . . . 0.0 113.246 -170.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.3 p -143.3 -173.31 3.9 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.054 0.941 . . . . 0.0 113.001 174.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.0 p -75.4 0.22 17.7 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.317 1.447 . . . . 0.0 114.787 -177.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -61.17 146.09 48.81 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.157 1.383 . . . . 0.0 114.227 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.91 153.09 36.09 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.11 1.364 . . . . 0.0 111.872 169.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.8 t -146.15 153.09 40.27 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 174.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.491 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -62.45 -14.45 41.14 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.981 1.712 . . . . 0.0 115.252 168.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.9 mt -126.07 133.43 68.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.234 1.014 . . . . 0.0 111.381 -169.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -61.01 -43.36 99.0 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.108 1.363 . . . . 0.0 112.68 176.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.4 -35.28 73.66 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.66 0.784 . . . . 0.0 113.092 175.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -68.2 -39.33 82.46 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.637 -0.664 . . . . 0.0 111.635 174.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.3 tp -63.93 -45.74 87.91 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.15 -0.969 . . . . 0.0 111.478 171.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -56.0 -45.27 79.1 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 118.896 0.771 . . . . 0.0 111.748 177.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.22 -36.38 67.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 123.162 0.585 . . . . 0.0 112.178 -177.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -64.01 -41.69 97.39 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.534 1.134 . . . . 0.0 112.88 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.7 mt -59.72 -23.99 63.62 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.893 0.877 . . . . 0.0 112.969 -178.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -58.8 -29.49 66.89 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.582 1.153 . . . . 0.0 113.138 -178.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -73.56 -22.8 59.96 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 63.0 m-70 -85.48 3.71 39.06 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.548 1.539 . . . . 0.0 113.91 -177.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.5 t -144.85 175.52 10.14 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.69 1.596 . . . . 0.0 111.799 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.96 -155.39 53.05 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 125.823 1.677 . . . . 0.0 114.539 170.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -130.62 129.36 42.61 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.006 1.322 . . . . 0.0 111.137 171.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -83.03 112.42 19.76 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.453 0.644 . . . . 0.0 111.645 174.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -101.68 121.32 41.81 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.223 1.409 . . . . 0.0 108.904 169.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.62 146.78 23.77 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.671 1.189 . . . . 0.0 113.208 177.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.6 t -66.89 142.97 57.12 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 122.117 0.96 . . . . 0.0 111.763 171.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -83.11 -5.71 59.21 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.768 0.827 . . . . 0.0 111.937 175.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -120.42 -26.95 5.29 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.547 1.139 . . . . 0.0 113.498 -171.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.1 p -138.94 -178.07 5.16 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.171 0.989 . . . . 0.0 113.12 171.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.6 p -75.43 5.42 5.83 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.495 1.518 . . . . 0.0 114.293 177.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -62.07 148.25 44.79 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 124.916 1.286 . . . . 0.0 112.966 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.9 p -138.85 151.47 47.03 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 125.088 1.355 . . . . 0.0 111.89 170.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.9 t -142.41 152.75 43.11 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.201 1.001 . . . . 0.0 112.012 178.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -85.02 2.46 43.1 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.952 1.301 . . . . 0.0 113.326 177.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.9 t -136.32 130.49 32.99 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.642 1.577 . . . . 0.0 111.368 172.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.2 pttt -64.9 -31.69 73.04 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 125.01 1.324 . . . . 0.0 112.667 173.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.4 -38.11 62.48 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 123.541 0.591 . . . . 0.0 112.653 176.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 63.6 m170 -71.65 -33.12 68.64 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.312 -1.11 . . . . 0.0 112.12 171.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.0 tp -63.61 -40.54 97.16 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.343 -0.848 . . . . 0.0 112.299 170.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -57.08 -47.73 80.3 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 121.588 -0.695 . . . . 0.0 110.697 171.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 75.5 t -61.0 -40.75 86.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 CA-C-N 118.577 0.626 . . . . 0.0 111.859 177.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -56.87 -46.12 82.04 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.512 0.725 . . . . 0.0 112.002 174.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 94.4 mt -71.08 -41.59 76.27 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 O-C-N 120.782 -1.199 . . . . 0.0 111.238 178.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -64.53 -20.4 66.2 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.339 1.455 . . . . 0.0 113.912 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.8 ptt180 -106.83 -40.69 5.42 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 179.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.4 t -91.47 -44.81 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-N 118.268 0.485 . . . . 0.0 111.432 -174.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -111.67 18.86 18.62 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 -170.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.4 tmmm? -87.98 136.01 33.15 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.635 1.574 . . . . 0.0 110.604 177.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt 51.45 46.28 26.74 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.798 1.639 . . . . 0.0 112.701 -169.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 13.8 tt -86.92 149.27 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.685 1.594 . . . . 0.0 111.624 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -72.03 149.12 45.19 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.593 0.757 . . . . 0.0 111.071 170.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -118.95 166.54 12.73 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.524 1.53 . . . . 0.0 111.55 -175.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 25.4 p-80 -131.48 148.75 52.67 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.81 0.844 . . . . 0.0 112.568 171.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 53.7 t -69.28 135.82 51.02 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.975 1.31 . . . . 0.0 113.204 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -23.92 66.1 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.73 1.612 . . . . 0.0 113.176 176.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -108.89 -32.53 7.25 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 -168.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.1 p -130.9 2.59 4.39 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 115.397 1.629 . . . . 0.0 115.397 -178.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp 57.61 13.81 2.09 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 126.503 1.921 . . . . 0.0 115.38 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 41.6 tttp -61.03 135.35 57.76 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.266 1.426 . . . . 0.0 110.385 172.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -89.64 142.68 27.46 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.809 0.844 . . . . 0.0 112.448 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -133.19 129.63 38.04 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.036 1.734 . . . . 0.0 111.753 -172.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 26.7 m -78.86 -12.42 60.03 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 114.109 1.152 . . . . 0.0 114.109 -176.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -138.38 136.11 36.0 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.463 1.505 . . . . 0.0 109.588 171.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.3 p -59.58 -36.73 66.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 118.92 -0.562 . . . . 0.0 111.482 173.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -62.81 -36.37 82.96 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.652 1.115 . . . . 0.0 111.991 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -72.73 -31.35 64.89 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 175.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.9 tp -63.05 -40.44 97.7 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 118.31 0.505 . . . . 0.0 112.008 171.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 16.6 mm -61.08 -46.56 96.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 CA-C-N 118.498 0.59 . . . . 0.0 110.206 176.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -59.67 -41.2 90.13 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.425 0.69 . . . . 0.0 111.983 177.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 63.9 t60 -60.19 -44.8 94.8 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.903 0.881 . . . . 0.0 112.822 171.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 63.5 mt -64.08 -43.36 97.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 O-C-N 121.228 -0.92 . . . . 0.0 110.914 176.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -64.29 -23.38 67.28 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 175.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -97.0 -42.67 7.79 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.524 1.13 . . . . 0.0 113.482 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -104.43 -24.86 13.0 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.704 1.202 . . . . 0.0 114.19 -171.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -129.24 26.89 5.4 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.12 1.368 . . . . 0.0 113.257 -172.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -52.85 136.94 45.73 Favored Pre-proline 0 CA--C 1.554 1.097 0 C-N-CA 125.68 1.592 . . . . 0.0 114.524 -172.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -53.72 143.19 59.32 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 124.609 3.539 . . . . 0.0 114.539 175.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -87.79 -8.73 55.56 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.451 1.1 . . . . 0.0 113.863 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 . . . . . 0 C--O 1.254 1.315 0 C-N-CA 126.672 1.989 . . . . 0.0 113.191 -179.223 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.545 0 N-CA-C 112.028 -0.429 . . . . 0.0 112.028 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 m -68.6 151.52 46.62 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.571 1.148 . . . . 0.0 113.258 -178.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.5 m -67.83 152.81 44.97 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.588 1.155 . . . . 0.0 112.883 177.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.76 156.16 53.41 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 123.979 0.799 . . . . 0.0 113.679 175.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 t -79.92 148.18 31.36 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.014 0.925 . . . . 0.0 112.726 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.2 m -85.9 150.82 24.25 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.981 1.313 . . . . 0.0 112.978 -177.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.8 -151.0 51.82 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 124.091 0.853 . . . . 0.0 113.974 177.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -113.24 71.33 1.48 Allowed Pre-proline 0 CA--C 1.547 0.853 0 C-N-CA 128.122 2.569 . . . . 0.0 112.259 -176.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.502 ' HD2' ' HA ' ' A' ' 20' ' ' ALA . 38.0 Cg_endo -67.27 -30.88 36.64 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 124.215 3.277 . . . . 0.0 115.244 -177.248 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -81.51 106.58 13.57 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.116 0.566 . . . . 0.0 110.687 -175.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -99.17 149.41 23.1 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.267 1.427 . . . . 0.0 112.294 -175.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.2 t -76.26 133.06 72.12 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 123.688 0.795 . . . . 0.0 109.99 170.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -77.49 -6.98 16.68 Favored 'Trans proline' 0 CA--C 1.542 0.918 0 C-N-CA 123.83 3.02 . . . . 0.0 112.226 172.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -113.49 -28.67 7.45 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.861 1.265 . . . . 0.0 113.128 -170.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.4 p -143.54 -172.94 3.82 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.988 0.915 . . . . 0.0 113.14 175.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.9 p -76.0 0.74 17.5 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.367 1.467 . . . . 0.0 114.681 -177.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -61.16 147.03 45.47 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.169 1.388 . . . . 0.0 114.126 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.24 152.9 37.97 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.291 1.436 . . . . 0.0 111.739 172.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.6 t -147.61 152.72 38.37 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 171.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.502 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -62.11 -14.09 33.3 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 115.833 1.79 . . . . 0.0 115.833 168.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 49.4 mt -127.29 135.06 64.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 124.456 1.102 . . . . 0.0 111.195 -169.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -61.69 -42.57 99.11 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.349 1.06 . . . . 0.0 112.675 176.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.62 -35.99 75.45 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.821 0.848 . . . . 0.0 112.785 175.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -70.5 -26.55 63.65 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.646 -0.658 . . . . 0.0 112.477 175.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.7 tp -74.93 -45.62 41.27 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.342 0.974 . . . . 0.0 111.043 168.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -54.83 -45.36 74.45 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 118.869 0.759 . . . . 0.0 111.732 177.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.44 -35.32 66.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 123.611 0.764 . . . . 0.0 112.375 -176.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -65.61 -41.29 92.89 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.583 1.153 . . . . 0.0 112.668 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.8 mt -59.81 -24.8 64.44 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.807 0.843 . . . . 0.0 112.601 -178.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -56.82 -30.72 64.02 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.888 1.275 . . . . 0.0 112.817 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.56 -24.11 58.88 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -80.54 -6.47 58.27 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.71 1.204 . . . . 0.0 113.09 175.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 36.8 p -117.53 -47.1 2.65 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 125.309 1.443 . . . . 0.0 111.78 178.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 175.65 109.44 0.24 Allowed Glycine 0 CA--C 1.532 1.113 0 C-N-CA 125.302 1.429 . . . . 0.0 111.637 169.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -65.68 137.25 57.18 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -173.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -90.01 109.32 20.37 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.757 0.823 . . . . 0.0 111.155 177.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -87.71 106.01 17.76 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 126.631 1.972 . . . . 0.0 108.814 174.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -97.5 144.27 27.38 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.594 1.157 . . . . 0.0 113.071 -174.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.8 t -68.93 140.3 55.1 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 122.223 1.011 . . . . 0.0 111.738 172.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -83.62 -5.3 59.14 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.867 0.867 . . . . 0.0 111.805 173.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -119.86 -26.72 5.56 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.986 1.314 . . . . 0.0 113.475 -170.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 29.2 p -139.88 -176.55 4.62 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.097 0.959 . . . . 0.0 113.214 170.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.1 m -73.42 3.65 5.73 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.281 1.432 . . . . 0.0 113.968 176.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -60.79 145.08 51.08 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.279 1.032 . . . . 0.0 113.212 -179.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 34.2 p -143.7 150.52 38.8 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 125.602 1.561 . . . . 0.0 112.033 172.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.7 t -145.36 164.57 31.06 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.807 1.243 . . . . 0.0 111.584 175.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.4 mp -91.77 12.03 22.7 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.193 1.397 . . . . 0.0 113.322 170.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.9 t -132.26 125.73 31.74 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.179 1.391 . . . . 0.0 112.599 172.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.2 pttt -61.36 -34.11 74.75 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.37 1.468 . . . . 0.0 112.039 169.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.44 -42.6 81.28 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 123.951 0.786 . . . . 0.0 112.489 176.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -70.23 -34.28 72.69 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.579 -0.953 . . . . 0.0 112.157 174.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 61.4 tp -58.9 -43.09 90.95 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 118.954 0.797 . . . . 0.0 111.866 170.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -59.83 -48.79 80.26 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.692 -0.63 . . . . 0.0 110.979 175.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 89.4 t -61.91 -39.37 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 122.891 0.477 . . . . 0.0 111.692 178.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -58.17 -45.02 88.24 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.819 0.848 . . . . 0.0 112.031 175.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 88.3 mt -70.56 -40.73 77.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 O-C-N 120.976 -1.078 . . . . 0.0 111.05 177.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -67.12 -18.51 65.33 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.926 1.29 . . . . 0.0 113.987 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -105.2 -42.04 5.39 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.547 1.139 . . . . 0.0 113.905 178.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 23.7 t -92.36 -44.29 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 CA-C-N 118.188 0.449 . . . . 0.0 111.647 -173.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -110.02 22.09 16.02 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.135 1.374 . . . . 0.0 113.671 -172.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.5 tmmm? -86.41 149.27 25.12 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.803 1.641 . . . . 0.0 110.317 172.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 75.0 tttt 55.38 48.18 19.65 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.894 1.678 . . . . 0.0 112.368 -168.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 13.3 tt -105.9 150.01 8.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 126.09 1.756 . . . . 0.0 111.738 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -68.27 133.6 49.06 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.626 0.77 . . . . 0.0 111.874 177.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -141.55 169.21 18.04 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 127.896 2.478 . . . . 0.0 109.533 178.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 30.2 p-80 -140.06 153.69 46.85 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 170.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.0 t -75.5 129.98 38.15 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.101 1.76 . . . . 0.0 112.24 178.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.0 -10.97 59.72 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 177.232 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -98.23 -34.49 10.7 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -178.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 23.7 p -131.19 3.34 4.32 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 -177.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt 58.61 14.19 2.97 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 126.587 1.955 . . . . 0.0 115.062 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -67.31 137.67 56.23 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.865 1.266 . . . . 0.0 110.795 174.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -86.39 144.79 27.15 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.07 0.948 . . . . 0.0 112.406 176.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -132.81 143.78 49.78 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.807 2.043 . . . . 0.0 110.978 -175.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 48.8 m -95.76 1.57 53.39 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -175.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -152.06 145.2 24.6 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 125.302 1.441 . . . . 0.0 109.775 168.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.6 p -63.68 -39.14 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 CA-C-O 118.773 -0.632 . . . . 0.0 111.995 176.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -65.92 -34.02 77.17 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 120.01 1.277 . . . . 0.0 111.548 179.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -70.44 -33.06 70.87 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 173.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.34 -40.74 97.36 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.777 -0.577 . . . . 0.0 111.906 170.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 15.7 mm -62.32 -45.05 99.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 O-C-N 121.581 -0.699 . . . . 0.0 110.61 175.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -59.45 -40.88 88.29 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.241 0.616 . . . . 0.0 111.778 177.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -60.07 -46.61 88.98 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.859 0.864 . . . . 0.0 112.874 170.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 57.9 mt -61.75 -43.84 97.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-N 118.923 0.783 . . . . 0.0 110.768 177.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -63.09 -23.27 67.36 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 176.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -97.08 -43.88 7.22 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.456 1.102 . . . . 0.0 113.557 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -103.27 -25.93 13.15 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.018 1.327 . . . . 0.0 114.226 -171.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -129.53 33.34 4.5 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.844 1.658 . . . . 0.0 111.746 -175.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -49.6 138.38 16.61 Favored Pre-proline 0 CA--C 1.549 0.934 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 -167.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -82.02 166.57 16.67 Favored 'Trans proline' 0 CA--C 1.541 0.831 0 C-N-CA 124.345 3.363 . . . . 0.0 112.178 171.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -123.74 130.78 53.16 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.11 1.364 . . . . 0.0 109.943 174.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 32.6 t70 . . . . . 0 C--O 1.253 1.288 0 C-N-CA 126.569 1.948 . . . . 0.0 112.693 -177.764 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.578 0 N-CA-C 111.87 -0.492 . . . . 0.0 111.87 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 m -67.27 146.3 54.28 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.453 1.101 . . . . 0.0 112.941 -178.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.0 p -87.79 -18.38 29.49 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 -177.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.22 147.59 36.31 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 124.431 1.015 . . . . 0.0 113.858 178.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.7 m -143.94 151.58 39.97 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.549 1.539 . . . . 0.0 111.884 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t 59.79 175.46 0.08 Allowed 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.433 1.893 . . . . 0.0 115.123 -177.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.49 6.72 2.2 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 126.179 1.847 . . . . 0.0 114.942 178.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.9 mtmt 49.01 63.37 10.54 Favored Pre-proline 0 N--CA 1.48 1.049 0 C-N-CA 126.041 1.736 . . . . 0.0 112.665 -178.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -60.92 -28.4 86.28 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 124.929 3.753 . . . . 0.0 115.478 -173.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -87.29 103.33 15.36 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.321 0.648 . . . . 0.0 111.068 -178.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -100.11 149.81 23.13 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.569 1.548 . . . . 0.0 112.002 -178.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.1 t -75.71 136.91 70.41 Favored Pre-proline 0 CA--C 1.547 0.841 0 C-N-CA 124.294 1.038 . . . . 0.0 110.621 170.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -77.89 -10.61 16.78 Favored 'Trans proline' 0 CA--C 1.541 0.843 0 C-N-CA 123.842 3.028 . . . . 0.0 112.465 174.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -112.22 -26.65 8.69 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -173.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.7 p -142.05 -176.26 4.73 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 176.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.9 p -73.9 0.45 13.35 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.339 1.455 . . . . 0.0 114.532 -178.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -60.2 144.83 49.15 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.795 1.238 . . . . 0.0 113.81 178.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.43 156.13 40.89 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.711 1.204 . . . . 0.0 112.091 169.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.4 t -146.67 164.74 31.72 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.816 1.246 . . . . 0.0 112.667 173.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.21 -3.86 57.83 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.212 1.405 . . . . 0.0 114.442 173.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 61.4 mt -130.96 134.12 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.131 1.373 . . . . 0.0 109.97 -171.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -66.35 -37.95 86.49 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.405 -0.81 . . . . 0.0 112.914 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.47 -35.75 70.58 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.444 0.698 . . . . 0.0 112.701 175.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -68.56 -38.89 81.13 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.63 0.772 . . . . 0.0 111.872 173.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.8 tp -65.2 -45.61 84.1 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.054 -1.029 . . . . 0.0 111.826 171.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -55.05 -45.43 75.29 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.96 0.8 . . . . 0.0 111.34 176.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.5 -36.99 68.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 123.219 0.608 . . . . 0.0 112.396 -177.089 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -62.67 -41.21 98.95 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.224 1.01 . . . . 0.0 112.789 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 65.4 mt -58.22 -26.69 63.14 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.938 0.895 . . . . 0.0 112.805 -177.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.9 mtp85 -57.61 -25.86 60.7 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.186 1.395 . . . . 0.0 113.635 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt -77.84 -19.46 54.84 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 176.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -89.04 -23.35 22.59 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.776 1.23 . . . . 0.0 112.928 174.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 33.3 p -81.56 -34.89 30.83 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 118.986 0.812 . . . . 0.0 112.575 176.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.17 162.78 52.89 Favored Glycine 0 CA--C 1.54 1.639 0 C-N-CA 125.248 1.404 . . . . 0.0 113.896 176.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -74.12 122.99 23.59 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.598 -0.942 . . . . 0.0 112.744 -174.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -101.97 107.12 18.17 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 125.513 1.525 . . . . 0.0 111.789 -174.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -91.62 117.65 29.92 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.782 1.233 . . . . 0.0 109.762 172.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.93 147.56 22.87 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.693 1.197 . . . . 0.0 113.809 179.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.8 t -67.94 143.73 55.52 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 122.252 1.025 . . . . 0.0 112.118 170.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -83.43 -7.24 59.59 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.004 0.922 . . . . 0.0 112.003 175.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -118.64 -27.25 5.93 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.595 1.158 . . . . 0.0 113.463 -172.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.1 p -139.56 -179.33 5.84 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 173.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.8 m -73.31 5.02 3.92 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.271 1.428 . . . . 0.0 114.086 177.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 94.1 t80 -60.87 146.61 45.89 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 124.165 0.986 . . . . 0.0 112.593 178.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.4 p -138.9 152.82 48.08 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 124.975 1.31 . . . . 0.0 111.937 170.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 10.5 t -140.55 153.86 46.3 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.344 1.057 . . . . 0.0 111.914 -176.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -88.08 0.39 56.04 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.091 1.356 . . . . 0.0 112.505 171.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.1 t -131.09 122.79 27.33 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.852 1.661 . . . . 0.0 111.575 174.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -60.04 -31.37 69.91 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.748 1.219 . . . . 0.0 112.947 171.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -77.44 -37.71 30.59 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.241 0.924 . . . . 0.0 112.818 -178.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -72.58 -33.38 66.71 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 118.875 1.337 . . . . 0.0 111.143 172.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.2 tp -57.34 -37.51 72.67 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.188 -0.945 . . . . 0.0 112.415 173.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 65.6 tttt -60.28 -49.18 78.61 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.455 -0.778 . . . . 0.0 110.408 171.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.0 t -59.11 -42.52 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 CA-C-N 118.759 0.709 . . . . 0.0 112.071 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -54.14 -42.65 69.78 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.978 0.911 . . . . 0.0 111.936 173.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 81.4 mt -71.6 -40.36 70.98 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 O-C-N 120.877 -1.139 . . . . 0.0 111.15 174.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -63.55 -20.26 65.48 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.621 1.169 . . . . 0.0 114.097 178.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -108.82 -39.42 5.34 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.801 1.24 . . . . 0.0 113.906 -177.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.3 t -93.63 -42.57 13.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-N 118.049 0.386 . . . . 0.0 111.744 -175.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -116.34 18.29 15.27 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 115.213 1.56 . . . . 0.0 115.213 -169.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.7 tmmm? -84.54 135.24 34.3 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.043 1.337 . . . . 0.0 111.523 -177.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 67.7 mttm 49.13 44.45 22.97 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 126.323 1.849 . . . . 0.0 113.466 -171.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 11.9 tt -90.93 156.98 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 125.733 1.613 . . . . 0.0 112.056 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -130.38 144.24 51.27 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.556 1.542 . . . . 0.0 109.652 167.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -91.38 163.73 14.09 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.877 0.871 . . . . 0.0 110.711 -178.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 43.9 p-80 -140.54 148.8 41.57 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.265 -0.897 . . . . 0.0 113.264 169.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 51.7 t -77.69 125.58 29.55 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.369 1.468 . . . . 0.0 109.95 169.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.45 -18.48 59.87 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 176.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -85.52 -34.6 21.51 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.91 0.884 . . . . 0.0 113.365 -174.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.0 p -128.69 3.98 5.5 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm 60.73 15.68 6.05 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 126.832 2.053 . . . . 0.0 115.103 177.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -69.99 140.79 52.98 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.159 1.784 . . . . 0.0 111.365 175.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -95.42 146.16 24.61 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.251 1.021 . . . . 0.0 111.431 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -134.22 130.09 36.67 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.502 1.521 . . . . 0.0 112.193 -171.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 55.4 p -81.97 -14.47 55.99 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.487 1.515 . . . . 0.0 113.922 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -137.47 134.69 36.07 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 125.524 1.53 . . . . 0.0 109.976 172.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.6 p -60.27 -35.98 65.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 118.956 -0.545 . . . . 0.0 111.481 173.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -62.24 -37.53 85.77 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 119.531 1.06 . . . . 0.0 111.892 179.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -72.34 -30.81 65.09 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 174.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.9 tp -62.1 -42.63 99.41 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 118.782 0.719 . . . . 0.0 111.565 170.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 12.8 mm -61.86 -48.07 90.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-N 118.722 0.692 . . . . 0.0 110.486 177.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -59.03 -40.79 86.1 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.901 0.88 . . . . 0.0 112.113 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -61.61 -46.32 90.31 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.203 1.001 . . . . 0.0 112.924 171.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 58.9 mt -62.52 -42.48 95.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 CA-C-N 119.121 0.873 . . . . 0.0 110.726 176.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -63.19 -24.52 67.92 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 175.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -97.27 -45.1 6.63 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.727 1.211 . . . . 0.0 113.421 -179.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -99.73 -26.08 14.17 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.043 1.337 . . . . 0.0 114.024 -172.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 59.2 m-70 -132.45 30.41 4.15 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.133 1.373 . . . . 0.0 113.215 -170.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -51.25 132.61 32.49 Favored Pre-proline 0 CA--C 1.553 1.072 0 C-N-CA 124.777 1.231 . . . . 0.0 114.179 -169.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.03 137.99 22.37 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 123.28 2.653 . . . . 0.0 112.067 -177.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -139.41 124.99 19.33 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.916 1.286 . . . . 0.0 110.211 177.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 C--O 1.251 1.15 0 C-N-CA 125.332 1.453 . . . . 0.0 113.62 178.629 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.61 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 m -65.32 -13.01 57.51 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 115.359 1.614 . . . . 0.0 115.359 -172.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.1 p -74.57 -13.71 60.69 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.273 1.429 . . . . 0.0 114.02 172.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.76 -170.21 13.12 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 125.992 1.758 . . . . 0.0 113.744 177.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.0 m 60.92 173.94 0.1 Allowed 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 126.618 1.967 . . . . 0.0 115.118 -177.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -147.33 162.02 39.81 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.399 1.48 . . . . 0.0 111.49 177.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.86 147.54 49.62 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 124.438 1.018 . . . . 0.0 113.465 179.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -114.96 74.61 3.58 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 127.948 2.499 . . . . 0.0 112.672 -171.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.483 ' HD2' ' HA ' ' A' ' 20' ' ' ALA . 57.0 Cg_endo -72.99 -30.54 10.8 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 124.199 3.266 . . . . 0.0 115.228 -178.418 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -81.96 104.25 12.18 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.066 0.546 . . . . 0.0 110.875 -173.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -93.11 149.68 21.05 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.03 1.332 . . . . 0.0 112.351 -174.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.4 t -77.74 132.32 68.59 Favored Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 123.743 0.817 . . . . 0.0 109.537 169.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -77.24 -6.11 16.23 Favored 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 123.821 3.014 . . . . 0.0 112.278 173.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -115.34 -27.67 7.15 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.844 1.257 . . . . 0.0 113.359 -169.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.8 p -144.5 -174.6 4.36 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.85 0.86 . . . . 0.0 113.234 174.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.0 m -72.63 -0.08 12.01 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.344 1.458 . . . . 0.0 114.617 -177.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -62.34 145.67 53.23 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.955 1.302 . . . . 0.0 113.871 -178.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -144.47 149.61 36.27 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.574 1.55 . . . . 0.0 110.878 172.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.4 p -143.92 143.2 31.16 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.619 1.167 . . . . 0.0 113.37 -174.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.483 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -67.3 -13.72 62.25 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 116.209 1.929 . . . . 0.0 116.209 171.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 65.8 mt -137.12 131.29 45.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.091 1.357 . . . . 0.0 109.802 -169.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -62.42 -35.71 80.1 Favored 'General case' 0 N--CA 1.479 0.975 0 O-C-N 121.314 -0.866 . . . . 0.0 113.171 178.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.13 -35.54 71.65 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.039 0.836 . . . . 0.0 112.61 172.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 -74.75 -23.36 58.54 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.643 0.777 . . . . 0.0 112.452 175.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.4 tp -76.28 -46.65 26.92 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.299 -0.876 . . . . 0.0 111.097 167.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -54.08 -44.43 71.18 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.794 0.838 . . . . 0.0 111.413 178.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.91 -34.96 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 123.687 0.795 . . . . 0.0 112.484 -178.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -66.92 -39.89 87.5 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.691 1.196 . . . . 0.0 112.748 -179.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.7 mt -60.05 -22.67 62.97 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.991 0.917 . . . . 0.0 113.189 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.74 -23.02 64.62 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.271 1.428 . . . . 0.0 114.026 -177.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -79.77 -23.29 42.29 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 114.185 1.179 . . . . 0.0 114.185 176.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -88.03 -8.19 55.95 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -175.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 66.9 p -72.9 -35.51 67.12 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.266 -0.896 . . . . 0.0 112.644 177.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -93.82 -154.08 30.77 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 125.834 1.683 . . . . 0.0 113.299 179.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -127.39 144.47 51.05 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.933 1.293 . . . . 0.0 112.57 178.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt -94.85 107.61 19.63 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.077 1.351 . . . . 0.0 110.891 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -94.17 109.02 20.84 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 125.962 1.705 . . . . 0.0 109.279 177.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.42 145.31 24.86 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.895 1.278 . . . . 0.0 113.319 -174.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.5 t -68.52 141.3 55.58 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 122.013 0.911 . . . . 0.0 111.683 172.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -84.54 -4.84 59.18 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.822 0.849 . . . . 0.0 111.795 173.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -119.87 -26.79 5.54 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.984 1.314 . . . . 0.0 113.458 -170.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.9 p -139.1 -175.52 4.19 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.423 1.089 . . . . 0.0 112.896 169.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.0 p -76.52 5.12 7.84 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.496 1.518 . . . . 0.0 114.299 177.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -61.67 146.79 48.02 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.807 1.243 . . . . 0.0 113.253 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 79.7 p -140.59 155.85 46.45 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.355 1.462 . . . . 0.0 112.174 169.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.5 t -146.11 157.08 43.83 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.93 0.892 . . . . 0.0 112.408 177.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.33 -3.6 58.89 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.416 1.486 . . . . 0.0 114.098 179.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.3 m -134.01 134.48 42.5 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.407 1.483 . . . . 0.0 111.81 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -69.65 -34.72 74.41 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.474 1.11 . . . . 0.0 112.901 -175.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -66.59 -32.76 82.47 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 123.737 0.684 . . . . 0.0 113.253 173.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -74.16 -32.48 63.13 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.294 -1.121 . . . . 0.0 112.091 174.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.62 -43.99 97.83 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.032 0.833 . . . . 0.0 110.987 169.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -56.17 -50.77 70.23 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 118.886 -0.578 . . . . 0.0 111.055 173.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.8 t -60.1 -39.93 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-N 118.775 0.716 . . . . 0.0 111.886 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -57.31 -47.01 82.62 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.257 0.623 . . . . 0.0 112.083 175.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.3 mt -70.29 -40.63 78.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 O-C-N 120.909 -1.119 . . . . 0.0 110.98 178.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -69.0 -12.46 61.7 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.649 1.58 . . . . 0.0 114.403 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -111.65 -40.69 4.25 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 174.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.8 t -90.83 -46.68 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-N 118.329 0.513 . . . . 0.0 111.384 -173.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -108.32 18.84 20.59 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.989 1.316 . . . . 0.0 114.385 -173.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.23 120.53 12.9 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.479 1.511 . . . . 0.0 111.021 -176.161 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.8 ttpp 47.34 52.91 11.6 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.443 1.897 . . . . 0.0 113.307 -172.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 17.3 tt -62.87 144.91 13.99 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 C-N-CA 123.912 0.885 . . . . 0.0 111.476 173.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -72.28 154.8 40.77 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.181 0.992 . . . . 0.0 111.912 177.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 44.1 mm-40 -131.54 173.7 10.85 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.396 1.478 . . . . 0.0 111.734 -174.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 42.6 p-80 -131.72 145.13 51.46 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 173.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.1 t -76.02 124.08 26.8 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.543 1.537 . . . . 0.0 109.007 168.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.83 -14.27 59.62 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 175.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -89.32 -36.34 15.6 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.144 0.978 . . . . 0.0 113.001 -177.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.269 16.7 p -129.86 10.62 5.53 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 116.1 1.889 . . . . 0.0 116.1 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.0 mmtt 59.54 13.23 3.2 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 127.498 2.319 . . . . 0.0 115.212 172.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 35.8 mttp -72.76 141.55 48.12 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 127.193 2.197 . . . . 0.0 111.473 176.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 63.0 mtpt -96.64 142.6 28.49 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.144 0.978 . . . . 0.0 111.752 175.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -125.9 141.86 51.78 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.911 1.684 . . . . 0.0 113.039 -169.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 49.2 p -75.73 -20.49 58.29 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.306 1.842 . . . . 0.0 114.724 -172.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -151.67 143.86 23.98 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.887 2.075 . . . . 0.0 107.676 178.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.6 p -56.97 -37.09 52.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 O-C-N 121.56 -0.713 . . . . 0.0 111.25 171.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -62.84 -34.95 78.41 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.485 1.039 . . . . 0.0 112.269 178.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -72.61 -34.87 67.66 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.355 0.662 . . . . 0.0 111.622 175.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.3 tp -61.55 -40.75 95.82 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.448 0.699 . . . . 0.0 112.015 173.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 13.3 mm -61.56 -46.58 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 O-C-N 121.695 -0.628 . . . . 0.0 110.407 177.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -61.75 -40.75 96.22 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.263 0.625 . . . . 0.0 111.887 178.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 64.6 t60 -58.59 -45.1 89.81 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.881 0.872 . . . . 0.0 112.666 170.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 50.0 mt -63.17 -44.24 99.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 O-C-N 121.374 -0.829 . . . . 0.0 111.05 176.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -66.0 -21.8 66.42 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 177.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -97.11 -40.66 8.71 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.62 1.168 . . . . 0.0 113.687 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.23 -25.27 11.58 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -172.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -126.44 25.82 6.47 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.31 1.444 . . . . 0.0 113.249 -173.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -55.0 138.21 65.35 Favored Pre-proline 0 CA--C 1.551 0.983 0 C-N-CA 125.473 1.509 . . . . 0.0 113.935 -174.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.35 152.44 49.63 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 123.808 3.005 . . . . 0.0 113.14 -175.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -107.84 124.84 50.68 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.996 1.718 . . . . 0.0 110.352 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.3 t70 . . . . . 0 C--O 1.25 1.129 0 C-N-CA 125.648 1.579 . . . . 0.0 113.052 170.865 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.547 0 N-CA-C 111.729 -0.548 . . . . 0.0 111.729 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.0 p -77.15 166.49 23.18 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.005 1.322 . . . . 0.0 113.299 177.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.9 t -143.28 147.63 35.09 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.192 1.397 . . . . 0.0 111.818 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.15 -18.21 62.37 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.395 0.998 . . . . 0.0 114.292 176.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.0 m -67.09 -21.17 65.88 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.439 1.096 . . . . 0.0 113.226 172.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.6 m -95.78 45.49 1.08 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.927 1.691 . . . . 0.0 111.719 177.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.66 141.53 40.54 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.375 1.464 . . . . 0.0 114.363 -173.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -119.26 75.97 16.33 Favored Pre-proline 0 CA--C 1.54 0.584 0 C-N-CA 128.166 2.586 . . . . 0.0 110.802 -169.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 20' ' ' ALA . 57.8 Cg_endo -68.57 -27.97 32.16 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.688 2.925 . . . . 0.0 114.172 -178.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -86.97 93.09 9.25 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 121.71 0.767 . . . . 0.0 111.656 -171.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -88.21 149.19 24.0 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.768 2.027 . . . . 0.0 112.464 -177.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.1 t -77.71 136.39 63.32 Favored Pre-proline 0 CA--C 1.548 0.887 0 C-N-CA 124.758 1.223 . . . . 0.0 110.227 169.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -78.69 -9.45 15.86 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 123.884 3.056 . . . . 0.0 112.265 173.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -110.1 -28.96 8.42 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.345 1.058 . . . . 0.0 113.453 -172.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.6 p -142.24 -175.63 4.51 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.791 0.836 . . . . 0.0 113.076 177.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.2 p -74.04 0.03 14.96 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.288 1.435 . . . . 0.0 114.707 -178.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -61.22 145.53 50.88 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.044 1.338 . . . . 0.0 114.035 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.21 152.72 35.05 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.212 1.405 . . . . 0.0 111.344 169.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.5 t -143.43 149.63 37.89 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 173.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.424 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -67.51 -11.21 57.44 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.331 1.852 . . . . 0.0 115.111 167.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.9 mt -120.14 129.44 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.678 1.191 . . . . 0.0 109.638 -179.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -72.88 -30.51 64.01 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 121.204 -0.935 . . . . 0.0 112.395 -177.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.4 -35.11 76.6 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 121.102 -0.999 . . . . 0.0 112.162 169.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -70.77 -18.55 62.76 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.564 0.746 . . . . 0.0 112.985 173.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.0 tp -80.35 -41.8 24.1 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.165 -0.959 . . . . 0.0 111.321 167.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -65.34 -38.46 90.17 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.088 -1.007 . . . . 0.0 112.293 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.2 p -65.86 -32.07 56.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 123.634 0.774 . . . . 0.0 112.445 173.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -75.33 -35.47 61.2 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.84 0.856 . . . . 0.0 112.633 -173.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 72.6 mt -62.76 -21.47 65.87 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.65 0.78 . . . . 0.0 112.607 176.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -62.12 -35.7 79.55 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.523 1.129 . . . . 0.0 112.153 174.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.2 mttt -67.15 -26.84 66.86 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 125.109 1.363 . . . . 0.0 112.696 -178.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -77.14 2.15 16.14 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 173.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.8 p -95.04 178.01 5.69 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.787 1.235 . . . . 0.0 112.067 169.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.71 24.51 23.13 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 124.579 1.085 . . . . 0.0 114.398 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -137.14 145.47 43.84 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.131 1.773 . . . . 0.0 110.205 178.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -75.13 111.19 10.11 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.676 0.75 . . . . 0.0 112.315 -178.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -103.65 122.52 45.2 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.646 1.578 . . . . 0.0 109.48 169.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.13 147.28 23.17 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.705 1.202 . . . . 0.0 113.234 174.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.4 t -66.15 143.26 57.39 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 122.191 0.996 . . . . 0.0 111.866 171.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -81.82 -6.35 58.99 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.88 0.872 . . . . 0.0 112.075 175.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -121.26 -27.02 4.95 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.477 1.111 . . . . 0.0 113.619 -171.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.5 p -139.56 -178.82 5.57 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.138 0.975 . . . . 0.0 113.295 172.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.9 m -73.51 4.55 4.72 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.157 1.383 . . . . 0.0 113.997 177.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -61.5 148.4 42.12 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 124.522 1.129 . . . . 0.0 113.084 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.3 p -141.77 152.46 43.79 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 125.223 1.409 . . . . 0.0 112.211 173.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 10.1 t -149.17 156.58 42.38 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.301 1.041 . . . . 0.0 112.138 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 88.6 mt -88.64 -7.26 56.67 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.698 1.199 . . . . 0.0 113.815 174.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.8 t -117.78 128.25 54.69 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.616 1.167 . . . . 0.0 111.21 175.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -67.9 -32.85 73.62 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.614 1.165 . . . . 0.0 111.415 176.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.4 -42.97 80.43 Favored Glycine 0 CA--C 1.531 1.07 0 C-N-CA 124.551 1.072 . . . . 0.0 112.705 173.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -69.3 -33.23 72.86 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.454 1.127 . . . . 0.0 112.237 175.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 70.0 tp -64.98 -40.59 95.19 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.948 0.795 . . . . 0.0 112.169 170.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.6 tttt -57.62 -50.55 72.77 Favored 'General case' 0 C--N 1.341 0.231 0 O-C-N 121.516 -0.74 . . . . 0.0 109.763 171.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.7 t -58.6 -41.27 81.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 CA-C-N 119.104 0.865 . . . . 0.0 112.206 178.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -55.34 -46.65 76.38 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.499 0.72 . . . . 0.0 112.07 174.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 87.7 mt -71.57 -40.06 70.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 O-C-N 120.812 -1.18 . . . . 0.0 111.468 178.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -68.56 -12.91 61.92 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.568 1.547 . . . . 0.0 113.547 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.7 ptt180 -114.21 -42.92 3.27 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.936 1.294 . . . . 0.0 114.403 176.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 40.4 t -88.06 -45.94 15.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-N 118.433 0.56 . . . . 0.0 110.995 -173.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -104.97 19.55 20.39 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.22 1.408 . . . . 0.0 113.593 -175.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -74.19 153.23 39.58 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.203 1.401 . . . . 0.0 111.326 171.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 73.8 tttt 53.99 47.02 24.34 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.48 1.912 . . . . 0.0 112.893 -177.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 13.1 tt -109.85 150.36 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 126.162 1.785 . . . . 0.0 111.092 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -82.18 79.27 8.72 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.337 1.055 . . . . 0.0 111.628 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -66.16 166.02 12.6 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.527 1.531 . . . . 0.0 111.281 168.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 46.3 p-80 -141.63 149.46 40.71 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 172.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 44.9 t -78.74 127.94 32.75 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.924 1.69 . . . . 0.0 110.495 169.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.41 -15.81 59.16 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 176.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -87.93 -35.33 17.74 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.704 0.802 . . . . 0.0 113.148 -175.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 25.8 p -130.09 3.33 4.8 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 -178.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.2 mptt 61.0 18.28 8.76 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 126.411 1.884 . . . . 0.0 114.012 176.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -72.13 137.39 46.97 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.419 1.488 . . . . 0.0 110.841 173.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -88.83 145.16 25.74 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.81 0.844 . . . . 0.0 112.341 175.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -132.1 133.55 44.45 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.09 1.756 . . . . 0.0 110.555 -176.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.4 m -87.52 -4.98 58.98 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 -175.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -142.04 142.61 32.89 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 125.586 1.554 . . . . 0.0 108.757 169.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.9 p -59.95 -36.24 65.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 119.063 -0.494 . . . . 0.0 110.639 170.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -52.91 -45.17 67.46 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.022 0.929 . . . . 0.0 112.795 178.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -78.94 -23.72 44.44 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.63 -43.34 97.12 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 119.187 0.903 . . . . 0.0 111.345 169.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.3 mm -61.12 -47.73 92.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 CA-C-N 118.489 0.586 . . . . 0.0 110.271 176.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -57.86 -42.89 85.46 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.67 1.188 . . . . 0.0 112.001 177.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -60.77 -45.17 95.39 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 124.516 1.126 . . . . 0.0 112.906 172.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 58.6 mt -63.26 -42.63 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 O-C-N 121.331 -0.855 . . . . 0.0 110.799 176.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 77.3 mtp85 -64.63 -23.56 67.3 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 175.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -97.06 -41.9 8.14 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.526 1.131 . . . . 0.0 113.516 -178.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -106.04 -24.77 12.31 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.818 1.247 . . . . 0.0 114.168 -171.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -129.08 27.44 5.39 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.154 1.382 . . . . 0.0 113.321 -172.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -53.99 136.46 57.16 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 125.032 1.333 . . . . 0.0 113.756 -173.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -76.83 148.06 28.01 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 123.308 2.672 . . . . 0.0 113.67 -170.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -142.99 134.43 26.22 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.157 1.783 . . . . 0.0 109.491 172.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.5 t70 . . . . . 0 C--O 1.252 1.227 0 C-N-CA 125.897 1.679 . . . . 0.0 112.682 177.897 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.518 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.4 m -137.01 153.76 50.57 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.133 1.373 . . . . 0.0 112.279 -175.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.1 m -68.74 154.28 42.24 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.69 1.196 . . . . 0.0 112.908 178.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.3 -179.49 45.88 Favored Glycine 0 CA--C 1.536 1.376 0 C-N-CA 124.382 0.991 . . . . 0.0 113.751 179.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.5 m -66.89 153.47 43.41 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.837 1.255 . . . . 0.0 113.214 -178.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t -146.78 175.77 10.37 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.276 1.43 . . . . 0.0 112.047 -179.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.7 150.81 27.34 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.932 1.73 . . . . 0.0 113.692 -176.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -118.79 71.57 10.49 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 127.946 2.499 . . . . 0.0 112.011 -169.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.498 ' HD2' ' HA ' ' A' ' 20' ' ' ALA . 32.1 Cg_endo -65.63 -31.86 49.01 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 124.251 3.301 . . . . 0.0 115.577 -176.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -81.15 108.58 14.92 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.15 0.58 . . . . 0.0 110.779 -175.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -101.72 149.59 24.0 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.375 1.47 . . . . 0.0 112.615 -174.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.7 t -76.83 136.37 66.9 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 123.88 0.872 . . . . 0.0 110.51 170.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -77.65 -11.07 17.09 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 123.859 3.039 . . . . 0.0 112.461 174.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -112.69 -26.19 8.73 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -173.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.2 p -142.01 -176.83 4.94 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 176.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.3 p -73.25 0.7 11.13 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.307 1.443 . . . . 0.0 114.546 -178.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -60.56 144.83 50.71 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.02 1.328 . . . . 0.0 113.864 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.75 153.91 38.84 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.353 1.461 . . . . 0.0 111.584 172.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.5 t -148.72 152.36 36.5 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 170.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.498 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -62.03 -14.39 35.39 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 115.27 1.581 . . . . 0.0 115.27 168.206 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.1 mt -125.1 133.28 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.558 1.143 . . . . 0.0 111.075 -170.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -63.6 -39.57 94.72 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.229 1.012 . . . . 0.0 112.922 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.27 -34.41 75.13 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.911 0.884 . . . . 0.0 113.052 175.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -68.28 -37.9 81.16 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.494 -0.754 . . . . 0.0 111.572 173.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.2 tp -64.28 -45.98 85.66 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.158 -0.964 . . . . 0.0 111.625 170.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -54.97 -45.55 74.96 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.169 0.895 . . . . 0.0 111.913 177.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.32 -35.75 64.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 123.15 0.58 . . . . 0.0 112.239 -176.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -64.61 -41.24 96.33 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.224 1.009 . . . . 0.0 112.734 179.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.8 mt -59.86 -21.71 61.33 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.319 1.048 . . . . 0.0 113.214 -178.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -58.18 -28.46 64.79 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.834 1.254 . . . . 0.0 113.375 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -78.23 -16.29 57.97 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 177.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -90.71 14.34 13.71 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.775 1.63 . . . . 0.0 113.679 178.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.0 t -149.96 -177.67 6.04 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.778 2.031 . . . . 0.0 110.059 178.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.43 -146.68 21.82 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 124.188 0.899 . . . . 0.0 114.294 169.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -127.68 150.64 49.67 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.621 1.568 . . . . 0.0 112.508 -173.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -77.63 110.98 12.91 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.77 0.795 . . . . 0.0 111.495 176.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -98.98 121.06 40.44 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 125.341 1.457 . . . . 0.0 109.713 169.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -93.5 148.54 21.99 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.903 1.281 . . . . 0.0 113.178 176.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.9 t -66.77 142.43 57.38 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 122.133 0.968 . . . . 0.0 111.764 171.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -82.14 -5.9 58.79 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.844 0.858 . . . . 0.0 111.992 175.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -120.88 -26.93 5.11 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.58 1.152 . . . . 0.0 113.683 -170.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.1 p -139.34 -177.06 4.76 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.033 0.933 . . . . 0.0 113.275 171.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.6 p -74.51 3.68 7.24 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.491 1.516 . . . . 0.0 114.206 176.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -60.05 147.51 38.97 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 124.37 1.068 . . . . 0.0 113.023 178.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 38.2 p -142.19 151.15 41.9 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 125.422 1.489 . . . . 0.0 111.843 173.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.6 t -148.67 151.45 34.96 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.045 0.938 . . . . 0.0 111.689 174.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -82.13 -8.93 59.67 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.463 1.105 . . . . 0.0 112.883 173.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.3 m -118.89 111.26 18.16 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.557 1.543 . . . . 0.0 111.249 177.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.1 pttt -58.24 -33.11 68.99 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.938 1.295 . . . . 0.0 113.732 177.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.96 -36.9 92.67 Favored Glycine 0 CA--C 1.536 1.404 0 O-C-N 122.043 -0.411 . . . . 0.0 113.23 175.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -72.95 -35.35 66.95 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.464 1.132 . . . . 0.0 111.941 172.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 62.4 tp -61.26 -39.09 89.07 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 118.675 0.671 . . . . 0.0 112.243 172.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -59.52 -50.09 75.24 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 121.522 -0.736 . . . . 0.0 110.197 172.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 89.0 t -60.15 -39.0 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 118.516 0.598 . . . . 0.0 112.026 177.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 67.9 t60 -57.57 -44.58 85.42 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.813 0.845 . . . . 0.0 112.048 174.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.3 mt -72.36 -38.43 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 O-C-N 120.808 -1.183 . . . . 0.0 111.157 176.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -69.48 -12.66 61.84 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.961 1.304 . . . . 0.0 113.541 178.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.1 ptt180 -112.53 -42.23 3.7 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.953 1.301 . . . . 0.0 114.06 177.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.8 t -90.66 -46.89 14.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 122.81 0.444 . . . . 0.0 111.33 -174.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -107.64 18.36 21.51 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.109 1.364 . . . . 0.0 113.978 -171.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -60.83 112.39 2.02 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.732 1.613 . . . . 0.0 111.232 -177.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 66.2 mttm 45.44 47.15 10.88 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.844 2.058 . . . . 0.0 113.91 -172.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 20.1 tt -65.96 142.95 16.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 124.381 1.072 . . . . 0.0 111.758 176.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -86.24 95.5 9.63 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.184 0.994 . . . . 0.0 111.475 -175.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 18.7 mm100 -75.35 164.96 25.87 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.834 1.254 . . . . 0.0 109.985 169.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 37.9 p-80 -133.43 147.09 51.7 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 43.5 t -73.92 126.33 30.21 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.682 1.593 . . . . 0.0 109.439 169.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.96 -7.7 59.63 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 175.174 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -96.88 -34.78 11.13 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.179 0.992 . . . . 0.0 112.888 -178.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.274 17.4 p -131.74 11.16 4.77 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 116.273 1.953 . . . . 0.0 116.273 179.436 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm 57.01 19.73 4.87 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 126.976 2.11 . . . . 0.0 115.156 173.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.1 mttp -77.6 141.27 39.59 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 127.216 2.207 . . . . 0.0 111.404 176.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -98.02 143.17 28.86 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.347 1.059 . . . . 0.0 112.494 177.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -135.55 114.55 12.16 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.534 1.934 . . . . 0.0 110.596 -173.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.8 m -75.12 -7.68 54.45 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.841 1.257 . . . . 0.0 114.2 -178.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -133.72 120.36 20.47 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.687 1.595 . . . . 0.0 109.153 174.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.0 p -63.27 -35.88 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 O-C-N 121.778 -0.577 . . . . 0.0 112.35 -173.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -58.29 -34.37 70.47 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.145 0.884 . . . . 0.0 112.349 177.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -77.09 -29.12 54.8 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.181 0.592 . . . . 0.0 112.348 176.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.19 -43.4 98.92 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 118.836 0.744 . . . . 0.0 110.987 169.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 15.7 mm -61.29 -46.72 96.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 O-C-N 121.926 -0.484 . . . . 0.0 110.481 176.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -60.09 -44.44 94.82 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.077 0.551 . . . . 0.0 111.465 178.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -58.14 -42.42 85.81 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.584 1.154 . . . . 0.0 113.059 173.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 52.1 mt -64.56 -43.48 96.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 O-C-N 121.329 -0.857 . . . . 0.0 110.745 175.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -68.4 -22.81 64.61 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 115.11 1.522 . . . . 0.0 115.11 174.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -86.93 -45.23 11.01 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.301 1.041 . . . . 0.0 112.528 178.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.58 -25.55 11.3 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 -171.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -130.47 21.54 5.15 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 -169.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -57.66 128.11 79.36 Favored Pre-proline 0 CA--C 1.551 1.002 0 C-N-CA 124.372 1.069 . . . . 0.0 112.524 -169.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.97 145.14 49.4 Favored 'Trans proline' 0 CA--C 1.537 0.631 0 C-N-CA 123.131 2.554 . . . . 0.0 114.138 -169.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -140.83 129.78 23.23 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.562 1.945 . . . . 0.0 109.336 176.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 . . . . . 0 C--O 1.254 1.29 0 C-N-CA 125.071 1.348 . . . . 0.0 113.842 173.944 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.527 0 N-CA-C 111.772 -0.531 . . . . 0.0 111.772 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.2 m -68.32 150.45 48.2 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.514 1.126 . . . . 0.0 113.097 -179.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 t -76.58 158.33 31.24 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.194 0.997 . . . . 0.0 112.49 176.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.59 163.55 34.86 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 125.147 1.356 . . . . 0.0 113.098 178.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.1 p -76.25 141.25 41.78 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.482 1.113 . . . . 0.0 113.233 -178.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -155.84 155.64 33.31 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.475 1.51 . . . . 0.0 111.179 175.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.66 -69.66 1.36 Allowed Glycine 0 CA--C 1.534 1.266 0 C-N-CA 124.42 1.009 . . . . 0.0 112.825 -179.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.3 mttt 48.09 63.74 9.78 Favored Pre-proline 0 N--CA 1.481 1.107 0 C-N-CA 126.651 1.98 . . . . 0.0 112.856 176.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -60.66 -29.49 88.53 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 124.519 3.479 . . . . 0.0 114.543 -174.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -92.53 101.8 14.24 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.356 0.662 . . . . 0.0 111.233 -173.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -97.98 150.52 21.28 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.862 1.665 . . . . 0.0 111.785 -177.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.3 t -76.42 136.55 68.18 Favored Pre-proline 0 CA--C 1.548 0.869 0 C-N-CA 124.162 0.985 . . . . 0.0 110.213 169.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -77.57 -10.39 17.24 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 123.882 3.055 . . . . 0.0 112.426 175.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -113.98 -25.94 8.34 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -172.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.7 p -142.57 -178.61 5.85 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.588 0.959 . . . . 0.0 113.588 177.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.7 m -70.98 -0.31 9.07 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.358 1.463 . . . . 0.0 114.594 -176.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -61.28 143.43 55.68 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.021 1.328 . . . . 0.0 113.686 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.7 153.74 36.13 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.141 1.376 . . . . 0.0 111.109 169.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.1 t -145.61 161.59 39.46 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.132 0.973 . . . . 0.0 112.742 175.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.92 1.46 55.37 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.371 1.468 . . . . 0.0 113.403 171.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 57.9 mt -126.23 118.17 50.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 125.353 1.461 . . . . 0.0 108.998 178.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.0 pttt -69.19 -25.03 64.13 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -178.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.62 -30.7 71.72 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.152 0.581 . . . . 0.0 112.397 168.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -71.39 -39.03 71.44 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.951 0.9 . . . . 0.0 110.766 173.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.82 -46.21 91.42 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.298 -0.876 . . . . 0.0 111.862 169.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -55.24 -46.02 76.03 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.36 0.982 . . . . 0.0 111.773 175.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.29 -35.46 62.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 123.175 0.59 . . . . 0.0 112.466 -176.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -64.57 -41.85 96.03 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.64 1.176 . . . . 0.0 112.716 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.6 mt -58.85 -23.15 60.36 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.4 1.08 . . . . 0.0 113.361 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.3 mtp-105 -59.78 -22.94 62.84 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.127 1.371 . . . . 0.0 114.047 -178.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -77.4 -28.12 52.6 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 174.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -83.96 -22.1 31.56 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.599 1.159 . . . . 0.0 113.577 -176.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 49.2 p -68.53 -29.69 68.32 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 121.486 -0.758 . . . . 0.0 112.072 171.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.65 66.85 2.34 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 126.581 2.039 . . . . 0.0 112.359 175.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -63.2 137.31 58.17 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.374 1.47 . . . . 0.0 113.93 -171.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -91.92 110.5 21.86 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.297 1.039 . . . . 0.0 110.477 170.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -83.32 107.19 15.68 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 126.27 1.828 . . . . 0.0 108.914 175.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -95.86 145.12 25.62 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.761 1.225 . . . . 0.0 113.077 -175.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.4 t -68.44 139.57 55.75 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 122.131 0.967 . . . . 0.0 111.513 172.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -83.51 -6.43 59.45 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.714 0.806 . . . . 0.0 111.732 172.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -116.67 -26.53 6.97 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.099 1.36 . . . . 0.0 113.101 -170.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.5 p -141.06 -173.17 3.65 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.468 1.107 . . . . 0.0 112.826 169.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.8 p -76.69 3.93 10.6 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.597 1.559 . . . . 0.0 114.31 176.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -60.79 147.09 43.78 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.281 1.032 . . . . 0.0 113.368 -179.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.2 p -144.35 150.42 37.75 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.491 1.516 . . . . 0.0 112.413 173.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 10.3 t -143.83 157.9 44.06 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.404 1.082 . . . . 0.0 111.824 172.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -83.26 -0.84 51.37 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.669 1.188 . . . . 0.0 113.287 176.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 64.4 m -133.4 129.67 37.66 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.203 1.401 . . . . 0.0 112.134 178.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -60.18 -36.49 77.73 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.238 1.415 . . . . 0.0 114.125 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.4 -34.42 79.66 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 123.176 0.417 . . . . 0.0 112.848 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 53.7 m170 -71.65 -33.72 69.15 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.248 -1.148 . . . . 0.0 112.125 172.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 54.6 tp -61.54 -43.49 98.76 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 118.797 0.726 . . . . 0.0 111.52 169.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.3 tttp -57.35 -52.25 66.1 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 118.548 -0.739 . . . . 0.0 110.11 173.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.7 t -58.27 -40.05 76.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 CA-C-N 119.146 0.885 . . . . 0.0 112.213 178.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -58.22 -46.09 86.5 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.291 0.637 . . . . 0.0 112.446 174.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 80.0 mt -70.77 -38.04 71.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 O-C-N 120.795 -1.19 . . . . 0.0 111.052 177.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -69.75 -11.61 60.99 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.53 1.532 . . . . 0.0 113.639 179.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.4 ptt180 -114.07 -41.47 3.52 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.917 1.287 . . . . 0.0 113.722 177.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.9 t -91.23 -47.81 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 122.952 0.501 . . . . 0.0 111.341 -174.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -106.1 17.62 23.27 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.0 1.32 . . . . 0.0 113.949 -172.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -61.6 135.79 57.77 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.198 1.799 . . . . 0.0 111.358 178.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 73.6 tttt 54.81 47.64 21.9 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.782 2.033 . . . . 0.0 113.544 178.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.7 tt -104.64 156.66 5.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 125.501 1.52 . . . . 0.0 110.795 170.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -143.16 124.18 14.4 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.094 1.358 . . . . 0.0 110.428 174.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -73.74 130.06 39.2 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 172.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 36.2 p-80 -140.22 141.94 35.87 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -171.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 43.1 t -67.24 140.13 57.38 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.908 1.283 . . . . 0.0 112.497 178.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.97 -22.97 52.39 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.84 1.656 . . . . 0.0 113.039 176.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -108.42 -33.13 7.17 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -167.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 22.4 p -127.55 3.45 6.19 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp 57.98 17.81 4.65 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.628 1.971 . . . . 0.0 115.046 178.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -67.56 137.66 55.88 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.466 1.506 . . . . 0.0 110.878 175.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -90.48 144.73 25.5 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.148 0.979 . . . . 0.0 111.532 176.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -130.88 131.86 44.79 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.122 1.369 . . . . 0.0 112.478 -173.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.3 m -76.11 -21.25 56.87 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.441 1.096 . . . . 0.0 113.803 -177.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -136.88 131.04 32.61 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.992 1.717 . . . . 0.0 109.681 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.81 -36.78 78.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 121.74 -0.6 . . . . 0.0 112.516 -174.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -61.18 -33.52 73.57 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 121.199 -0.938 . . . . 0.0 112.254 178.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -76.34 -26.25 55.56 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 174.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.2 tp -64.92 -42.52 94.64 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 119.286 0.948 . . . . 0.0 110.938 169.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 16.0 mm -61.9 -48.44 88.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 O-C-N 121.906 -0.497 . . . . 0.0 110.155 175.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -57.19 -43.03 82.3 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.456 1.102 . . . . 0.0 111.952 177.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -59.59 -44.29 93.4 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.54 1.136 . . . . 0.0 112.844 172.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 59.5 mt -63.12 -44.8 99.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 O-C-N 121.311 -0.868 . . . . 0.0 110.848 175.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -65.48 -25.07 67.32 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 177.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -93.64 -42.04 9.4 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.577 1.151 . . . . 0.0 113.696 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -104.89 -24.46 12.86 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 -171.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -129.56 24.59 5.43 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.011 1.324 . . . . 0.0 113.451 -171.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -51.85 136.78 35.89 Favored Pre-proline 0 CA--C 1.553 1.079 0 C-N-CA 125.363 1.465 . . . . 0.0 114.438 -175.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -77.83 155.45 30.67 Favored 'Trans proline' 0 CA--C 1.538 0.719 0 C-N-CA 123.728 2.952 . . . . 0.0 113.194 -176.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -138.97 133.83 32.29 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.088 1.755 . . . . 0.0 110.007 174.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.5 t70 . . . . . 0 C--O 1.251 1.176 0 C-N-CA 125.35 1.46 . . . . 0.0 113.456 176.411 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.509 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.8 m -135.0 164.73 26.97 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.41 1.484 . . . . 0.0 112.258 -175.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.1 m -56.54 122.33 11.74 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.784 0.834 . . . . 0.0 111.831 178.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.69 9.28 78.55 Favored Glycine 0 CA--C 1.539 1.543 0 N-CA-C 115.922 1.129 . . . . 0.0 115.922 -178.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.8 p -75.51 -9.88 58.96 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 119.432 1.616 . . . . 0.0 114.969 -178.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.5 p -136.75 152.4 50.29 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.647 1.579 . . . . 0.0 112.635 178.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.57 -153.89 30.5 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.209 1.385 . . . . 0.0 113.985 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 52.65 61.89 10.97 Favored Pre-proline 0 N--CA 1.481 1.108 0 C-N-CA 126.65 1.98 . . . . 0.0 113.841 177.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -62.14 -30.94 82.87 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 124.389 3.393 . . . . 0.0 115.494 -177.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -84.75 102.99 13.45 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.332 0.653 . . . . 0.0 111.257 -175.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -98.91 150.08 22.28 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.746 1.618 . . . . 0.0 112.461 -177.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.1 t -77.26 136.36 65.25 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 124.493 1.117 . . . . 0.0 110.419 170.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -78.16 -10.33 16.44 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 123.838 3.025 . . . . 0.0 112.319 174.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -113.21 -25.83 8.7 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -172.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.9 p -142.88 -177.84 5.52 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 175.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.8 m -71.61 0.75 7.88 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.242 1.417 . . . . 0.0 114.435 -177.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -62.07 144.39 55.32 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.953 1.301 . . . . 0.0 114.014 -179.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.38 153.68 38.9 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.841 1.256 . . . . 0.0 111.751 169.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.8 t -146.39 168.77 20.31 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.688 1.195 . . . . 0.0 112.362 173.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.32 0.44 56.81 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.368 1.467 . . . . 0.0 114.451 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 45.3 mt -135.19 136.76 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.278 1.431 . . . . 0.0 110.225 -171.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -61.47 -43.08 99.5 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.62 1.168 . . . . 0.0 112.486 176.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.73 -34.54 74.56 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.859 0.864 . . . . 0.0 113.041 175.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 -71.05 -19.84 62.44 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 175.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.9 tp -82.19 -40.45 21.71 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.412 -0.805 . . . . 0.0 111.074 167.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -62.71 -42.81 99.84 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 120.924 -1.11 . . . . 0.0 112.084 178.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.2 p -62.79 -31.06 50.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 175.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -77.9 -40.56 39.42 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.813 0.845 . . . . 0.0 111.924 -175.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.1 mt -61.71 -21.48 64.52 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.207 1.003 . . . . 0.0 112.937 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.7 mtp-105 -48.81 -38.94 23.58 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.721 1.608 . . . . 0.0 113.335 175.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -74.41 -21.03 59.83 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 114.325 1.232 . . . . 0.0 114.325 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -93.03 5.02 52.96 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.45 1.9 . . . . 0.0 113.978 -178.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 59.4 p -74.21 160.29 31.36 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 -174.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -173.23 -170.45 36.85 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 124.815 1.197 . . . . 0.0 112.589 -172.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -69.03 143.73 54.23 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.438 0.695 . . . . 0.0 112.373 177.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -78.13 111.4 14.02 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.505 0.669 . . . . 0.0 111.217 175.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -100.57 118.78 37.43 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 124.814 1.246 . . . . 0.0 109.76 170.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.41 146.12 26.01 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.072 0.949 . . . . 0.0 111.944 171.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.5 t -64.17 142.71 58.32 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 122.239 1.018 . . . . 0.0 111.489 171.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -80.55 -4.95 55.92 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.68 0.792 . . . . 0.0 112.089 176.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -123.72 -26.62 4.11 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.581 1.152 . . . . 0.0 113.814 -170.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.9 p -139.1 -177.26 4.82 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.346 1.059 . . . . 0.0 113.344 171.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.5 p -75.04 3.6 8.15 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.608 1.563 . . . . 0.0 114.335 176.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -60.31 149.06 34.69 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.326 1.05 . . . . 0.0 113.007 178.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.7 p -141.6 151.43 43.13 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.172 1.389 . . . . 0.0 112.168 175.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.2 t -149.54 154.44 38.74 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.223 1.009 . . . . 0.0 112.515 -179.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 45.9 mt -87.94 -3.17 58.94 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.162 1.385 . . . . 0.0 113.318 175.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t -127.65 129.79 47.81 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.681 1.592 . . . . 0.0 111.507 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.1 tptt -69.49 -33.81 73.41 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.204 1.402 . . . . 0.0 111.933 177.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.17 -42.53 75.71 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 124.327 0.965 . . . . 0.0 112.696 174.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 54.8 m170 -69.33 -32.9 72.31 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.429 -1.042 . . . . 0.0 112.155 175.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 63.1 tp -66.42 -39.11 88.77 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.419 -0.801 . . . . 0.0 112.425 171.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.8 tttt -58.36 -47.36 84.03 Favored 'General case' 0 N--CA 1.464 0.267 0 O-C-N 121.367 -0.833 . . . . 0.0 110.213 171.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.6 t -60.79 -41.34 88.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-N 118.676 0.671 . . . . 0.0 111.903 176.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -55.63 -45.68 77.55 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.648 0.658 . . . . 0.0 112.108 174.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.5 mt -71.7 -40.27 70.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 O-C-N 120.698 -1.251 . . . . 0.0 111.488 178.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -68.0 -14.2 62.78 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.448 1.499 . . . . 0.0 113.814 179.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.5 ptt180 -111.97 -40.79 4.14 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 177.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.1 t -91.03 -47.34 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-N 118.3 0.5 . . . . 0.0 111.406 -174.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -102.42 17.71 22.89 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.124 1.37 . . . . 0.0 113.998 -174.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? -71.36 140.67 50.28 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.512 1.525 . . . . 0.0 110.828 173.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 47.7 tttm 52.0 48.06 23.52 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.54 1.936 . . . . 0.0 113.352 -173.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 18.2 tt -72.24 149.92 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.688 1.195 . . . . 0.0 111.562 174.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -69.2 134.99 49.94 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.749 0.82 . . . . 0.0 111.181 174.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -109.14 167.05 10.38 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.538 1.935 . . . . 0.0 110.539 178.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 -131.86 151.43 51.69 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 174.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 53.7 t -71.99 132.06 43.78 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.81 1.644 . . . . 0.0 112.506 176.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.7 -2.58 47.39 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 177.228 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -110.04 -35.3 6.16 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.484 1.113 . . . . 0.0 113.442 -179.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.2 p -130.56 2.04 4.53 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 115.454 1.649 . . . . 0.0 115.454 -178.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt 55.73 23.14 6.01 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 126.163 1.785 . . . . 0.0 115.023 178.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -69.83 141.64 53.23 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.581 1.552 . . . . 0.0 111.002 169.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.81 142.75 27.4 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.321 1.048 . . . . 0.0 111.765 177.336 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -134.13 124.05 25.44 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.193 1.797 . . . . 0.0 111.327 -179.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.9 m -83.84 -6.11 59.35 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 -177.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -133.52 122.06 23.06 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 126.446 1.898 . . . . 0.0 108.73 172.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.9 p -62.18 -36.38 74.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 O-C-N 121.88 -0.513 . . . . 0.0 111.669 -177.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -59.36 -33.81 71.62 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 121.333 -0.855 . . . . 0.0 112.39 176.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -77.95 -26.88 49.12 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 174.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.1 tp -63.27 -42.7 99.14 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 119.368 0.986 . . . . 0.0 110.703 168.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.4 mm -61.69 -47.88 91.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 O-C-N 121.816 -0.552 . . . . 0.0 110.322 175.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -57.93 -40.05 79.51 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.486 1.114 . . . . 0.0 112.31 177.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -62.96 -44.31 96.4 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.796 1.238 . . . . 0.0 112.619 172.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 64.0 mt -63.88 -43.36 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 CA-C-N 119.264 0.938 . . . . 0.0 110.839 175.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 77.0 mtp85 -64.17 -22.73 67.05 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.984 1.314 . . . . 0.0 114.44 176.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -91.15 -57.31 2.84 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.182 0.993 . . . . 0.0 113.159 174.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -90.58 -26.96 19.42 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 -164.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -130.62 27.56 4.97 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.77 1.628 . . . . 0.0 112.707 -171.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -53.12 132.12 50.7 Favored Pre-proline 0 CA--C 1.551 1.019 0 C-N-CA 125.372 1.469 . . . . 0.0 114.811 -169.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.15 143.76 25.9 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 123.402 2.735 . . . . 0.0 111.676 176.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -139.03 127.75 23.34 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.654 1.182 . . . . 0.0 110.509 177.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 . . . . . 0 C--O 1.252 1.214 0 C-N-CA 126.426 1.89 . . . . 0.0 113.341 179.409 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.62 0 N-CA-C 111.863 -0.495 . . . . 0.0 111.863 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 t -148.25 156.94 43.16 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.065 1.346 . . . . 0.0 111.769 178.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.9 t -151.69 161.78 42.09 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.655 1.582 . . . . 0.0 111.655 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.62 174.5 45.11 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.752 1.168 . . . . 0.0 113.808 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t -76.44 161.21 28.85 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.566 1.146 . . . . 0.0 112.864 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.5 p -143.41 163.06 34.13 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.976 1.71 . . . . 0.0 112.738 -178.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.98 -162.21 27.5 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 124.664 1.126 . . . . 0.0 113.051 -178.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.5 mttt 48.56 62.67 11.7 Favored Pre-proline 0 N--CA 1.479 1.025 0 C-N-CA 125.985 1.714 . . . . 0.0 112.799 179.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -63.32 -28.39 72.04 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 124.162 3.242 . . . . 0.0 115.343 -173.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -83.17 95.92 8.26 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.19 0.596 . . . . 0.0 111.139 -176.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -91.11 148.76 22.15 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.942 1.697 . . . . 0.0 111.86 -179.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.2 t -75.77 134.48 72.11 Favored Pre-proline 0 CA--C 1.548 0.891 0 C-N-CA 124.313 1.045 . . . . 0.0 110.286 170.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -77.75 -6.82 16.33 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 123.816 3.011 . . . . 0.0 112.319 173.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -113.82 -29.09 7.19 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.837 1.255 . . . . 0.0 113.237 -170.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.6 p -144.56 -174.97 4.47 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 123.931 0.893 . . . . 0.0 113.294 176.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.9 m -73.26 0.28 12.37 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.237 1.415 . . . . 0.0 114.687 -177.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -62.07 147.04 48.62 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.102 1.361 . . . . 0.0 113.968 -178.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.21 153.31 37.43 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.826 1.25 . . . . 0.0 112.042 169.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.3 t -145.3 166.81 24.47 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.846 1.258 . . . . 0.0 112.478 172.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.24 -1.72 57.73 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.167 1.387 . . . . 0.0 114.477 176.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 56.8 mt -134.17 135.1 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 125.129 1.372 . . . . 0.0 110.303 -170.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -63.62 -39.46 94.41 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.028 0.931 . . . . 0.0 112.761 177.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.14 -36.02 76.58 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.638 0.775 . . . . 0.0 113.028 173.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -70.96 -26.71 63.29 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.497 -0.752 . . . . 0.0 112.332 175.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.3 tp -75.23 -44.43 46.17 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.135 0.88 . . . . 0.0 111.272 169.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -54.64 -46.11 73.88 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.103 0.865 . . . . 0.0 111.61 176.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.71 -34.98 67.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 123.339 0.655 . . . . 0.0 112.244 -176.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -66.2 -41.45 90.16 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.634 1.174 . . . . 0.0 112.748 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.0 mt -60.31 -22.98 63.82 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.975 0.91 . . . . 0.0 112.85 -178.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -56.85 -33.09 66.45 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.933 1.293 . . . . 0.0 112.889 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -72.97 -21.42 60.86 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -179.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -85.39 1.52 48.25 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.501 1.52 . . . . 0.0 113.609 178.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 44.3 p -80.31 166.14 21.62 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.369 1.067 . . . . 0.0 112.385 175.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.9 -145.04 23.25 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 123.979 0.8 . . . . 0.0 113.958 179.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -55.6 132.15 48.08 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.792 1.637 . . . . 0.0 115.137 -170.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -134.78 119.76 18.58 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 127.489 2.316 . . . . 0.0 111.097 174.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -95.81 107.82 20.1 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 126.334 1.854 . . . . 0.0 109.311 174.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -93.86 144.95 24.98 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.716 1.207 . . . . 0.0 112.823 -176.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.9 t -69.32 140.23 54.32 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 122.147 0.975 . . . . 0.0 111.685 172.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -83.75 -4.56 58.73 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.865 0.866 . . . . 0.0 111.876 173.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -120.25 -26.66 5.42 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.89 1.276 . . . . 0.0 113.447 -170.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.7 p -139.94 -175.51 4.25 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.227 1.011 . . . . 0.0 113.028 170.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.2 p -75.1 3.94 7.68 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.471 1.509 . . . . 0.0 114.34 176.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -59.58 144.88 46.35 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.426 1.09 . . . . 0.0 113.167 179.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.8 p -143.22 151.95 41.18 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 125.81 1.644 . . . . 0.0 111.588 171.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.1 t -147.99 156.61 42.84 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.974 0.91 . . . . 0.0 112.257 175.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 47.1 mt -78.92 -3.09 43.11 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 124.476 1.111 . . . . 0.0 112.858 172.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.0 t -123.23 125.65 45.49 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.772 1.629 . . . . 0.0 112.444 178.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.9 pttp -63.7 -34.39 77.76 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.404 1.482 . . . . 0.0 112.318 170.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -67.55 -40.54 90.83 Favored Glycine 0 CA--C 1.53 1.025 0 C-N-CA 123.836 0.731 . . . . 0.0 112.268 176.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -71.16 -34.6 71.12 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.444 -1.033 . . . . 0.0 112.371 174.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.9 tp -58.53 -43.58 89.25 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.296 0.953 . . . . 0.0 111.68 170.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -59.17 -50.86 72.41 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.852 -0.53 . . . . 0.0 110.616 175.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.0 t -60.5 -38.85 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-N 118.283 0.492 . . . . 0.0 111.99 178.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -58.12 -45.55 87.1 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.963 0.905 . . . . 0.0 112.194 175.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 80.2 mt -71.53 -39.26 70.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 O-C-N 120.745 -1.222 . . . . 0.0 110.999 177.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -68.37 -14.07 62.73 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.89 1.276 . . . . 0.0 113.782 179.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.1 ptt180 -110.75 -41.77 4.2 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.799 1.24 . . . . 0.0 114.011 177.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.4 t -91.38 -47.69 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-N 118.362 0.528 . . . . 0.0 111.386 -173.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -106.57 17.58 23.1 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.926 1.291 . . . . 0.0 114.082 -172.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -60.74 117.24 5.13 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.845 1.658 . . . . 0.0 111.115 -178.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 41.1 tttp 48.13 48.07 18.71 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.98 2.112 . . . . 0.0 113.417 -177.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 20.1 tt -64.33 139.18 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.412 1.085 . . . . 0.0 111.229 178.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -69.23 -44.27 72.37 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.34 1.056 . . . . 0.0 113.837 -169.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 60.53 155.19 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 116.719 2.118 . . . . 0.0 116.719 176.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 -139.92 151.93 45.98 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.145 0.978 . . . . 0.0 111.971 168.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.9 t -66.77 129.68 40.67 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.381 1.873 . . . . 0.0 112.206 -178.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -20.49 61.74 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 174.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -87.47 -43.31 12.15 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -177.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.4 p -125.77 4.26 7.42 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 -174.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . 0.253 13.2 mptt 61.53 15.36 6.67 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 126.961 2.104 . . . . 0.0 114.943 174.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -73.84 125.08 27.36 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.937 1.695 . . . . 0.0 111.893 173.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 49.5 tttm -74.16 141.67 45.53 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 126.803 2.041 . . . . 0.0 110.536 173.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -121.3 -1.85 9.64 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 116.972 2.212 . . . . 0.0 116.972 -172.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 44.5 m 58.38 -7.61 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 127.269 2.228 . . . . 0.0 116.361 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -154.92 132.62 11.37 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 128.587 2.755 . . . . 0.0 107.351 168.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 11.4 p -52.82 -36.75 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 O-C-N 121.627 -0.671 . . . . 0.0 111.569 169.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -60.59 -32.96 72.05 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.353 0.979 . . . . 0.0 112.672 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 56.7 m-20 -73.37 -37.36 66.06 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 118.225 0.466 . . . . 0.0 111.85 173.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 63.7 tp -61.94 -38.58 88.98 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.6 0.76 . . . . 0.0 112.114 178.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 19.9 mm -58.88 -47.78 88.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 CA-C-N 118.48 0.582 . . . . 0.0 110.245 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 25.4 ttmm -62.96 -40.52 97.93 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.677 0.791 . . . . 0.0 112.108 177.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -58.4 -45.98 87.31 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 118.674 0.67 . . . . 0.0 112.51 171.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 58.3 mt -61.25 -46.56 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-N 118.812 0.733 . . . . 0.0 110.537 175.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 70.0 mtt-85 -64.69 -26.69 68.48 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 178.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -93.64 -38.26 11.43 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -105.5 -24.79 12.54 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.876 1.27 . . . . 0.0 114.363 -173.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -130.82 26.86 4.96 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 125.937 1.695 . . . . 0.0 112.433 -175.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -25.14 107.59 0.18 Allowed Pre-proline 0 CA--C 1.553 1.093 0 C-N-CA 128.588 2.755 . . . . 0.0 116.962 -168.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -62.89 159.52 37.6 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 124.515 3.477 . . . . 0.0 114.067 173.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -81.08 -3.27 51.36 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.283 1.433 . . . . 0.0 113.734 176.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 32.5 t70 . . . . . 0 C--O 1.253 1.258 0 C-N-CA 126.823 2.049 . . . . 0.0 112.778 -177.921 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.546 0 N-CA-C 112.028 -0.429 . . . . 0.0 112.028 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.9 m -67.47 148.42 51.55 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.502 1.121 . . . . 0.0 113.028 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.6 m -69.09 145.25 53.57 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.416 1.086 . . . . 0.0 113.027 -179.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.89 153.4 10.05 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.787 1.184 . . . . 0.0 113.165 176.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 t -157.13 162.04 39.39 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.184 1.393 . . . . 0.0 111.676 178.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.9 p -153.29 167.66 28.62 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.582 1.553 . . . . 0.0 112.364 -178.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.18 -96.14 1.33 Allowed Glycine 0 CA--C 1.532 1.128 0 C-N-CA 124.166 0.889 . . . . 0.0 113.953 174.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.6 mttp 47.95 62.01 12.78 Favored Pre-proline 0 N--CA 1.477 0.924 0 C-N-CA 125.81 1.644 . . . . 0.0 112.542 -169.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.91 -30.89 92.85 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 125.029 3.819 . . . . 0.0 115.509 -173.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -84.03 100.98 11.43 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 124.229 1.011 . . . . 0.0 109.464 -178.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -116.6 144.75 44.0 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.211 1.404 . . . . 0.0 111.937 -167.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.9 t -75.96 132.22 74.61 Favored Pre-proline 0 CA--C 1.547 0.865 0 C-N-CA 123.689 0.796 . . . . 0.0 110.351 -177.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -76.79 -6.23 16.66 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 123.786 2.991 . . . . 0.0 112.175 172.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -115.57 -28.12 6.9 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.831 1.253 . . . . 0.0 113.25 -170.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.8 p -143.88 -172.68 3.8 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.701 0.801 . . . . 0.0 113.144 174.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.9 p -75.43 -0.54 20.38 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.373 1.469 . . . . 0.0 114.548 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -61.41 146.38 48.51 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.962 1.305 . . . . 0.0 114.081 -179.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.89 157.21 42.95 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.9 1.28 . . . . 0.0 112.334 172.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.5 t -146.34 158.19 43.86 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.8 1.64 . . . . 0.0 112.285 174.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.49 -2.39 53.23 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.689 1.196 . . . . 0.0 113.868 168.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 52.7 mt -127.67 132.83 68.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.897 1.279 . . . . 0.0 110.707 -173.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.0 tttm -58.14 -47.55 82.97 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.945 1.298 . . . . 0.0 112.922 178.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.21 -31.77 72.34 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 178.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -74.43 -16.89 60.86 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.542 0.737 . . . . 0.0 112.983 176.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 67.1 tp -83.14 -39.42 21.09 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.265 -0.897 . . . . 0.0 111.094 166.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -66.93 -38.2 85.74 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 120.991 -1.068 . . . . 0.0 112.231 -178.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.8 p -65.5 -30.53 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 123.718 0.807 . . . . 0.0 112.649 173.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -76.88 -37.97 54.51 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.94 0.896 . . . . 0.0 112.619 -172.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.9 mt -61.43 -20.71 63.41 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.574 0.75 . . . . 0.0 112.633 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.3 -23.45 64.19 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.732 1.613 . . . . 0.0 113.683 176.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.4 mttm -73.96 -36.27 64.58 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.381 1.472 . . . . 0.0 112.175 176.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -81.42 -0.22 40.51 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -174.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 58.4 p -75.46 169.77 17.43 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.586 1.154 . . . . 0.0 113.651 -177.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.94 -172.12 55.22 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.42 1.01 . . . . 0.0 113.291 -176.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -80.97 92.18 6.14 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 122.192 0.996 . . . . 0.0 111.649 179.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -111.22 118.1 35.0 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.348 1.459 . . . . 0.0 111.428 176.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -99.06 106.02 18.21 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.013 2.125 . . . . 0.0 108.476 -177.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.04 145.67 24.49 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.629 1.171 . . . . 0.0 113.845 -174.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.0 t -67.66 141.9 56.56 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 122.155 0.978 . . . . 0.0 112.091 171.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -85.14 -6.41 59.29 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.95 0.9 . . . . 0.0 111.873 173.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -117.95 -27.02 6.27 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.05 1.34 . . . . 0.0 113.319 -172.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.0 p -140.26 -176.67 4.7 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.838 0.855 . . . . 0.0 113.136 171.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.7 m -74.69 5.03 5.3 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.158 1.383 . . . . 0.0 114.013 177.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -62.44 148.07 46.69 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.591 1.156 . . . . 0.0 113.198 -178.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.7 p -142.74 149.43 38.74 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 125.436 1.495 . . . . 0.0 111.912 172.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 5.0 t -141.54 168.8 18.9 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.418 1.087 . . . . 0.0 112.004 174.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -91.95 7.59 41.42 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.962 1.305 . . . . 0.0 114.305 179.464 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 34.9 t -146.07 137.82 24.98 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.935 1.294 . . . . 0.0 112.39 175.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -58.49 -32.82 69.15 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.615 1.566 . . . . 0.0 112.837 168.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.17 -42.78 74.69 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 123.511 0.576 . . . . 0.0 112.367 176.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 55.4 m170 -69.47 -34.57 74.57 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 121.616 -0.932 . . . . 0.0 112.161 173.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.0 tp -61.5 -43.32 99.07 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.342 0.657 . . . . 0.0 111.992 170.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.3 tttp -58.23 -50.28 74.11 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 118.423 -0.799 . . . . 0.0 109.951 173.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.8 t -58.15 -41.17 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 119.116 0.871 . . . . 0.0 112.129 178.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -57.2 -47.29 81.65 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.386 0.674 . . . . 0.0 112.477 174.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 93.6 mt -70.3 -39.56 76.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 O-C-N 120.907 -1.12 . . . . 0.0 111.129 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -67.88 -13.73 62.39 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.125 1.77 . . . . 0.0 113.768 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -114.09 -39.48 3.91 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.693 1.197 . . . . 0.0 114.039 178.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 38.3 t -91.32 -46.65 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 122.826 0.45 . . . . 0.0 111.26 -175.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -108.38 18.34 21.11 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 -171.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.5 119.48 13.82 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.14 1.376 . . . . 0.0 110.557 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.7 tptt 49.58 46.65 23.47 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 126.492 1.917 . . . . 0.0 113.305 -173.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 16.1 tt -75.33 156.62 6.05 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 125.145 1.378 . . . . 0.0 111.798 176.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -79.03 151.86 31.25 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.932 1.293 . . . . 0.0 111.762 172.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -127.72 162.66 26.07 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 127.046 2.138 . . . . 0.0 109.541 174.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 27.3 p-80 -140.23 151.77 45.43 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 168.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.1 t -73.64 130.19 39.52 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.889 1.675 . . . . 0.0 112.539 179.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.34 -5.87 53.46 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 178.118 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -101.62 -39.07 7.65 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.481 1.112 . . . . 0.0 113.255 177.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.6 p -130.28 3.8 4.74 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 115.651 1.722 . . . . 0.0 115.651 -173.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt 59.31 13.74 3.29 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 126.595 1.958 . . . . 0.0 115.131 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -65.58 135.9 55.67 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.968 1.307 . . . . 0.0 110.646 174.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -87.83 142.92 27.43 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.82 0.848 . . . . 0.0 112.69 178.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -134.69 126.63 29.45 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.876 1.67 . . . . 0.0 110.9 -175.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 48.6 m -83.71 -9.61 58.73 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -177.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -137.58 128.1 26.65 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 125.648 1.579 . . . . 0.0 109.637 173.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.7 p -63.4 -35.6 72.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 N-CA-C 112.397 0.518 . . . . 0.0 112.397 -175.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -57.32 -38.43 74.04 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 119.197 0.908 . . . . 0.0 112.499 178.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -76.52 -25.07 53.79 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.47 0.708 . . . . 0.0 112.399 176.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.4 tp -66.3 -43.22 86.9 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 119.166 0.893 . . . . 0.0 111.324 169.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 15.7 mm -60.12 -46.86 93.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-N 118.44 0.564 . . . . 0.0 110.257 176.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.0 tppt? -58.35 -46.45 86.25 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.296 1.439 . . . . 0.0 111.433 175.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 55.7 t60 -59.11 -43.63 91.91 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.358 0.663 . . . . 0.0 112.304 174.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 58.2 mt -59.41 -52.54 59.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-O 118.744 -0.645 . . . . 0.0 110.164 174.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -60.73 -33.38 72.83 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 179.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -86.76 -37.46 17.84 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -177.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -102.94 -30.8 10.58 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -172.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -119.75 -53.27 2.2 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 115.925 1.824 . . . . 0.0 115.925 -169.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 38.4 t70 46.23 113.18 0.0 OUTLIER Pre-proline 0 CA--C 1.556 1.209 1 C-N-CA 133.366 4.667 . . . . 0.0 115.738 -175.319 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -71.45 172.56 13.96 Favored 'Trans proline' 0 CA--C 1.543 0.96 0 C-N-CA 124.366 3.377 . . . . 0.0 113.829 -176.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 59.26 35.82 23.5 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.828 1.651 . . . . 0.0 113.728 -178.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 . . . . . 0 C--O 1.254 1.291 0 C-N-CA 126.088 1.755 . . . . 0.0 114.172 175.192 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_