data_2jxz_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 2jxz _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 N--CA 1.471 0.588 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.7 m -63.27 -33.67 76.02 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.126 0.97 . . . . 0.0 112.198 -176.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.5 m -72.02 -41.06 67.97 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.213 1.005 . . . . 0.0 111.366 174.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 m -62.36 -37.24 84.95 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.564 -0.71 . . . . 0.0 112.728 170.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.5 mmm -69.27 -39.82 78.16 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.381 0.992 . . . . 0.0 111.866 175.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.1 tt -65.74 -38.64 89.67 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.373 1.069 . . . . 0.0 111.155 174.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.36 -43.99 94.14 Favored Glycine 0 CA--C 1.525 0.704 0 C-N-CA 124.556 1.074 . . . . 0.0 111.736 174.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.4 m -65.73 -39.89 91.61 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.793 0.837 . . . . 0.0 110.939 176.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 tt -59.62 -40.12 86.52 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.324 1.049 . . . . 0.0 112.152 170.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 84.9 m -69.84 -38.54 76.54 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.934 0.893 . . . . 0.0 111.187 178.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -64.55 -38.03 89.59 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.634 1.173 . . . . 0.0 111.994 172.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -68.26 -42.16 80.03 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 124.499 1.119 . . . . 0.0 110.926 178.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.5 m-30 -65.72 -38.39 89.05 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.641 0.777 . . . . 0.0 113.067 170.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -58.19 -47.49 83.27 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.909 1.231 . . . . 0.0 110.328 173.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -54.28 -59.66 4.38 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.466 1.107 . . . . 0.0 111.104 174.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 . . . . . 0 CA--C 1.535 0.391 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -173.306 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 N--CA 1.475 0.777 0 CA-C-O 120.939 0.4 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 m -66.0 -33.54 76.04 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.821 1.248 . . . . 0.0 112.24 -178.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 51.3 m -65.19 -40.8 94.7 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.404 0.682 . . . . 0.0 110.811 172.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 t -67.25 -39.06 86.09 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.925 -0.484 . . . . 0.0 112.123 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.3 mmm -66.6 -39.01 88.19 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.657 0.783 . . . . 0.0 111.955 174.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.4 tt -66.84 -39.37 87.61 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.397 1.079 . . . . 0.0 111.128 174.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.53 -39.15 95.42 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 124.502 1.048 . . . . 0.0 112.244 174.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.1 m -68.61 -41.33 79.69 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.207 1.003 . . . . 0.0 111.104 175.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 tt -60.41 -41.08 93.15 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.475 1.11 . . . . 0.0 112.046 171.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 86.6 m -69.36 -38.81 78.25 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.045 0.938 . . . . 0.0 110.958 177.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -64.84 -35.55 81.49 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.888 1.275 . . . . 0.0 111.448 172.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -71.09 -43.4 67.8 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.668 1.187 . . . . 0.0 111.003 177.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -62.07 -39.29 91.91 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.377 0.671 . . . . 0.0 112.796 170.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -61.62 -46.12 91.17 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.7 1.2 . . . . 0.0 110.857 174.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -55.34 -54.84 38.52 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.043 1.337 . . . . 0.0 111.558 174.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 . . . . . 0 CA--C 1.542 0.659 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 178.107 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 N--CA 1.469 0.525 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.3 m -63.5 -35.64 81.12 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.224 1.01 . . . . 0.0 112.046 -176.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 97.4 m -69.44 -41.22 76.57 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.917 0.887 . . . . 0.0 111.139 173.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.9 m -65.21 -36.52 84.43 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.589 -0.694 . . . . 0.0 112.054 175.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 35.1 mmt -69.18 -39.13 78.89 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.911 0.884 . . . . 0.0 111.872 174.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tt -65.65 -39.04 90.98 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.066 0.947 . . . . 0.0 111.043 173.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.67 -39.31 93.71 Favored Glycine 0 CA--C 1.53 1.021 0 C-N-CA 124.669 1.128 . . . . 0.0 112.331 174.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.9 m -66.94 -42.66 84.89 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.185 0.994 . . . . 0.0 110.759 174.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tt -59.91 -42.23 93.44 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.603 1.161 . . . . 0.0 112.017 172.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.3 m -69.27 -39.43 78.4 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.183 0.993 . . . . 0.0 111.246 178.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -62.53 -38.33 89.55 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.664 1.586 . . . . 0.0 110.99 172.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -74.64 -37.7 62.69 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.035 0.934 . . . . 0.0 112.095 179.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.5 m-30 -63.09 -40.22 97.03 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.18 -0.95 . . . . 0.0 112.54 167.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -61.58 -44.75 96.45 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.329 1.452 . . . . 0.0 110.83 175.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -54.17 -57.99 9.04 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.677 1.591 . . . . 0.0 112.974 169.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 . . . . . 0 N--CA 1.47 0.549 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 -177.299 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.1 tt . . . . . 0 N--CA 1.469 0.522 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.8 m -63.4 -35.38 80.22 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.317 1.047 . . . . 0.0 111.895 -175.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 97.2 m -69.17 -41.08 77.69 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.06 0.944 . . . . 0.0 111.082 172.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.8 m -65.34 -37.91 88.51 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 118.733 0.697 . . . . 0.0 112.281 175.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.9 mmm -67.98 -39.51 83.27 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.355 -0.841 . . . . 0.0 111.941 174.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.2 tt -65.88 -38.97 90.2 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.034 0.934 . . . . 0.0 111.21 174.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.28 -43.2 95.6 Favored Glycine 0 CA--C 1.526 0.733 0 C-N-CA 124.711 1.148 . . . . 0.0 111.789 175.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.4 m -68.95 -38.51 79.48 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.724 1.21 . . . . 0.0 111.384 176.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 tt -57.27 -40.91 78.66 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.891 0.876 . . . . 0.0 111.443 168.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.2 m -69.44 -37.83 77.56 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.093 0.957 . . . . 0.0 111.513 177.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -63.82 -40.41 96.55 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.608 -0.682 . . . . 0.0 110.946 172.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -72.69 -35.3 67.62 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.448 0.699 . . . . 0.0 112.166 -178.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.8 m-30 -62.5 -37.13 84.82 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.303 1.041 . . . . 0.0 112.835 165.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -63.26 -48.58 77.57 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.08 0.855 . . . . 0.0 110.568 171.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -58.52 -40.31 82.55 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.792 1.637 . . . . 0.0 113.07 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 . . . . . 0 N--CA 1.472 0.666 0 C-N-CA 123.385 0.674 . . . . 0.0 112.797 168.911 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.3 tt . . . . . 0 N--CA 1.472 0.673 0 CA-C-O 121.306 0.574 . . . . 0.0 110.742 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.6 p -56.94 -36.42 70.23 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.84 1.656 . . . . 0.0 113.425 173.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.0 m -67.17 -41.63 85.64 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.192 0.997 . . . . 0.0 110.839 174.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 80.6 m -61.86 -38.98 90.28 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 170.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.4 mmm -68.17 -38.24 81.86 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.38 0.991 . . . . 0.0 112.016 176.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.4 tt -66.88 -39.44 87.5 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.609 1.164 . . . . 0.0 111.056 174.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.87 -40.07 95.33 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 124.602 1.096 . . . . 0.0 112.167 174.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.5 m -68.3 -40.46 81.73 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.249 1.019 . . . . 0.0 110.976 175.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.6 tt -60.08 -45.05 94.19 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.092 0.957 . . . . 0.0 111.545 171.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.1 m -66.55 -38.07 86.34 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.221 1.008 . . . . 0.0 111.088 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.5 tp60 -61.83 -39.27 91.23 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.913 1.285 . . . . 0.0 110.69 171.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -38.74 86.86 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.742 1.217 . . . . 0.0 111.734 176.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -66.88 -38.03 85.54 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 171.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -59.73 -44.76 93.63 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.428 1.091 . . . . 0.0 111.088 170.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -57.75 -54.29 48.61 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.114 1.366 . . . . 0.0 111.49 173.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 . . . . . 0 N--CA 1.473 0.686 0 C-N-CA 123.757 0.823 . . . . 0.0 112.292 177.39 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 N--CA 1.47 0.575 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.1 m -63.04 -35.68 81.04 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.186 0.994 . . . . 0.0 111.999 -176.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 98.8 m -69.84 -41.3 75.1 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.969 0.908 . . . . 0.0 111.214 173.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.3 m -64.97 -37.19 86.84 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.642 -0.661 . . . . 0.0 112.147 175.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 92.0 mmm -68.42 -39.42 81.58 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.797 0.839 . . . . 0.0 111.863 174.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.4 tt -65.89 -39.22 90.43 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.146 0.978 . . . . 0.0 111.143 174.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.5 -39.02 93.89 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.732 1.158 . . . . 0.0 112.335 175.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.6 m -68.71 -40.67 79.84 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.04 0.936 . . . . 0.0 111.04 174.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 tt -60.95 -41.27 95.99 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.417 1.087 . . . . 0.0 112.091 171.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.4 m -68.54 -39.15 81.24 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.073 0.949 . . . . 0.0 110.703 177.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -65.51 -36.45 83.87 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.875 1.27 . . . . 0.0 111.576 172.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -68.68 -43.09 76.85 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.598 1.159 . . . . 0.0 110.479 177.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -63.38 -42.51 98.85 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 171.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -56.26 -46.97 79.45 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.434 1.494 . . . . 0.0 110.719 173.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 tmmm? -62.95 -53.74 49.34 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 125.706 1.602 . . . . 0.0 110.722 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 . . . . . 0 CA--C 1.537 0.452 0 C-N-CA 123.622 0.769 . . . . 0.0 112.9 177.699 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.9 tt . . . . . 0 N--CA 1.469 0.497 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.1 m -63.64 -35.37 80.31 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.218 1.007 . . . . 0.0 111.94 -175.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 98.0 m -68.91 -40.8 78.89 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.952 0.901 . . . . 0.0 111.124 172.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.3 m -65.29 -37.75 88.11 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.571 -0.706 . . . . 0.0 112.3 175.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.9 mmt -67.25 -39.59 86.16 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.348 -0.845 . . . . 0.0 111.871 174.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.4 tt -66.44 -39.2 88.76 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.185 0.994 . . . . 0.0 111.126 175.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.95 -38.81 93.09 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 124.82 1.2 . . . . 0.0 112.312 175.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.1 m -68.77 -41.24 79.11 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.982 0.913 . . . . 0.0 111.013 174.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 tt -59.56 -42.59 92.74 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.435 1.094 . . . . 0.0 111.906 171.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.0 m -68.44 -38.65 81.35 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.271 1.028 . . . . 0.0 111.126 177.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -64.3 -37.36 87.21 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.392 1.077 . . . . 0.0 111.192 173.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -73.05 -38.43 66.5 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.937 0.895 . . . . 0.0 111.641 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 -62.14 -37.0 83.52 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.305 -0.872 . . . . 0.0 112.8 167.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -48.08 81.52 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 119.444 1.02 . . . . 0.0 110.704 172.436 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -56.74 -49.52 74.97 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.965 1.306 . . . . 0.0 111.878 177.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 . . . . . 0 CA--C 1.539 0.547 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 177.326 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 N--CA 1.469 0.49 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.3 m -63.24 -35.56 80.74 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.258 1.023 . . . . 0.0 111.959 -176.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 98.6 m -69.86 -41.28 75.03 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.021 0.928 . . . . 0.0 111.168 173.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.3 m -64.93 -37.17 86.75 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.561 -0.712 . . . . 0.0 112.15 175.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 92.1 mmm -68.62 -39.21 80.91 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.761 0.824 . . . . 0.0 111.861 174.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tt -66.0 -39.15 90.04 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.129 0.972 . . . . 0.0 111.045 174.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.54 -39.42 93.94 Favored Glycine 0 CA--C 1.53 0.995 0 C-N-CA 124.731 1.158 . . . . 0.0 112.301 175.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.2 m -68.6 -40.42 80.46 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.997 0.919 . . . . 0.0 110.981 175.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.8 tt -60.84 -42.93 98.76 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.155 0.982 . . . . 0.0 111.755 171.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.3 m -67.45 -39.06 85.35 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.25 -0.907 . . . . 0.0 110.719 178.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 50.7 tp60 -63.13 -34.99 78.81 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.847 1.259 . . . . 0.0 111.08 171.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -69.44 -44.31 71.53 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 124.545 1.138 . . . . 0.0 111.313 177.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -62.7 -38.48 90.57 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 171.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -64.76 -43.24 93.9 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.03 1.332 . . . . 0.0 111.547 175.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -55.64 -51.16 68.16 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.204 1.402 . . . . 0.0 111.819 171.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 . . . . . 0 N--CA 1.472 0.668 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 175.235 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 tm? . . . . . 0 N--CA 1.474 0.729 0 CA-C-O 120.83 0.348 . . . . 0.0 111.927 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.3 m -65.02 -33.15 75.36 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.52 1.128 . . . . 0.0 112.155 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.6 m -65.91 -41.36 91.54 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.958 0.903 . . . . 0.0 111.149 173.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -67.88 -37.3 81.6 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.367 1.067 . . . . 0.0 112.293 175.391 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.1 mmm -67.15 -39.35 86.51 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.503 -0.748 . . . . 0.0 111.873 173.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tt -66.54 -39.06 88.37 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.486 1.114 . . . . 0.0 111.136 174.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.07 -38.94 94.47 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 124.48 1.038 . . . . 0.0 112.374 174.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.1 m -68.64 -42.09 78.48 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.025 0.93 . . . . 0.0 110.819 174.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 tt -58.6 -42.14 87.45 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.358 1.063 . . . . 0.0 111.928 171.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.5 m -68.48 -38.53 81.1 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.407 1.083 . . . . 0.0 111.09 177.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.2 tp60 -64.58 -35.59 81.5 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.783 1.233 . . . . 0.0 111.124 173.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.444 ' HA ' ' HE3' ' A' ' 18' ' ' LYS . 2.8 t70 -73.06 -40.39 65.1 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.366 1.066 . . . . 0.0 111.808 177.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.8 m-30 -62.52 -36.06 81.38 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.491 1.116 . . . . 0.0 112.966 169.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -64.93 -47.7 76.76 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.346 1.058 . . . . 0.0 110.337 173.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.444 ' HE3' ' HA ' ' A' ' 15' ' ' ASP . 6.8 mtmt -60.52 -41.84 95.2 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.034 0.934 . . . . 0.0 112.759 175.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 . . . . . 0 N--CA 1.472 0.673 0 C-N-CA 123.268 0.627 . . . . 0.0 112.661 169.507 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 N--CA 1.466 0.362 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.9 m -64.95 -33.55 76.31 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.624 1.169 . . . . 0.0 112.313 -176.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 75.2 m -69.7 -41.81 74.9 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.095 0.958 . . . . 0.0 110.709 173.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.22 -35.12 77.94 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 169.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.9 mmt -68.97 -39.69 79.3 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.585 1.084 . . . . 0.0 111.732 174.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tt -65.82 -39.09 90.52 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.421 1.088 . . . . 0.0 111.006 174.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.55 -39.0 93.81 Favored Glycine 0 CA--C 1.529 0.937 0 C-N-CA 124.775 1.179 . . . . 0.0 112.35 175.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.0 m -68.93 -41.87 77.53 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.999 0.919 . . . . 0.0 110.972 174.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 tt -58.61 -42.64 88.62 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.455 1.102 . . . . 0.0 111.867 171.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.5 m -68.35 -38.46 81.49 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.368 1.067 . . . . 0.0 111.199 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -65.29 -34.86 79.35 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.446 1.098 . . . . 0.0 111.11 173.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -74.41 -39.51 62.59 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.827 0.851 . . . . 0.0 111.649 177.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.3 m-30 -60.65 -36.98 80.01 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.375 -0.828 . . . . 0.0 112.548 167.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -67.21 -45.17 77.62 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.772 1.229 . . . . 0.0 111.3 174.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -58.95 -41.75 88.2 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.607 1.563 . . . . 0.0 112.782 173.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 . . . . . 0 N--CA 1.472 0.628 0 C-N-CA 123.948 0.899 . . . . 0.0 112.031 169.067 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.8 tt . . . . . 0 N--CA 1.47 0.553 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.3 m -63.87 -30.66 71.73 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.095 0.958 . . . . 0.0 112.531 -178.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 87.7 m -72.34 -39.68 67.98 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.468 1.107 . . . . 0.0 111.264 173.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 83.2 m -59.51 -39.05 82.56 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 166.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.9 mmm -68.31 -38.49 81.66 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.53 1.059 . . . . 0.0 111.975 176.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.5 tt -66.38 -39.52 89.14 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.445 1.098 . . . . 0.0 111.062 174.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.36 -39.45 94.24 Favored Glycine 0 CA--C 1.53 0.991 0 C-N-CA 124.547 1.07 . . . . 0.0 112.371 175.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.6 m -68.93 -40.78 78.84 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.05 0.94 . . . . 0.0 111.056 175.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.1 tt -59.21 -44.91 92.26 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.089 0.956 . . . . 0.0 111.423 171.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 92.1 m -66.95 -38.12 85.54 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.408 1.083 . . . . 0.0 111.056 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.3 tp60 -62.99 -33.89 76.36 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.839 1.256 . . . . 0.0 110.893 171.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.52 -39.76 64.54 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.991 0.916 . . . . 0.0 112.634 176.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -62.97 -37.23 86.28 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.548 -0.72 . . . . 0.0 112.795 168.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -63.04 -46.26 88.41 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.329 1.052 . . . . 0.0 111.0 171.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -56.68 -45.9 81.45 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.996 1.718 . . . . 0.0 112.589 175.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 . . . . . 0 N--CA 1.473 0.675 0 C-N-CA 123.398 0.679 . . . . 0.0 112.629 171.122 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 N--CA 1.47 0.528 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.1 m -63.36 -33.67 76.05 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.163 0.985 . . . . 0.0 112.113 -176.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.9 m -72.09 -41.0 67.81 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.21 1.004 . . . . 0.0 111.314 174.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 m -62.4 -37.64 86.56 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.494 -0.754 . . . . 0.0 112.732 170.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.5 mmm -68.89 -39.38 79.8 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.152 -0.967 . . . . 0.0 111.807 175.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.2 tt -66.08 -39.02 89.7 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.352 1.061 . . . . 0.0 111.071 174.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.47 -39.78 94.15 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 124.697 1.141 . . . . 0.0 112.336 175.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.8 m -69.43 -40.0 77.51 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.068 0.947 . . . . 0.0 111.206 175.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 tt -59.44 -42.93 93.06 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.34 1.056 . . . . 0.0 111.696 170.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.6 m -67.68 -37.83 82.87 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.222 1.009 . . . . 0.0 111.142 177.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -65.61 -40.81 93.05 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.41 1.084 . . . . 0.0 111.164 174.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -67.18 -41.7 85.49 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.952 1.301 . . . . 0.0 110.639 177.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.9 m-30 -61.19 -39.26 89.51 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.121 0.968 . . . . 0.0 113.302 170.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -59.61 -46.51 88.76 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.343 1.057 . . . . 0.0 110.857 171.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.96 -43.58 98.41 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.434 1.493 . . . . 0.0 112.059 -179.264 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 . . . . . 0 N--CA 1.47 0.538 0 C-N-CA 125.401 1.481 . . . . 0.0 112.958 170.27 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 N--CA 1.47 0.542 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.2 m -63.49 -33.61 75.95 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.093 0.957 . . . . 0.0 112.148 -176.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 95.0 m -72.08 -40.89 67.95 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.231 1.013 . . . . 0.0 111.301 174.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.3 m -62.37 -37.56 86.18 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.483 -0.761 . . . . 0.0 112.664 170.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.2 mmm -68.95 -39.1 79.71 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.057 -1.027 . . . . 0.0 111.82 175.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tt -66.29 -39.18 89.21 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.437 1.095 . . . . 0.0 111.098 174.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.5 -39.22 93.94 Favored Glycine 0 CA--C 1.53 0.977 0 C-N-CA 124.692 1.139 . . . . 0.0 112.253 175.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.6 m -68.19 -42.6 79.68 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.949 0.9 . . . . 0.0 110.836 174.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 tt -58.21 -42.89 87.2 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.369 1.068 . . . . 0.0 111.867 171.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.7 m -68.27 -38.18 81.48 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.506 1.122 . . . . 0.0 111.346 177.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.3 tp60 -64.69 -36.27 83.73 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.595 1.158 . . . . 0.0 110.887 173.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.87 -38.77 61.84 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.697 0.799 . . . . 0.0 111.999 177.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.9 m-30 -60.24 -36.85 78.68 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.89 0.876 . . . . 0.0 112.488 167.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -63.72 -51.27 65.72 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.99 0.916 . . . . 0.0 110.047 171.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -54.63 -44.08 72.87 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.765 1.226 . . . . 0.0 112.52 178.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 . . . . . 0 N--CA 1.473 0.718 0 C-N-CA 124.671 1.188 . . . . 0.0 113.38 170.868 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 N--CA 1.47 0.545 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.5 m -63.58 -33.47 75.67 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.123 0.969 . . . . 0.0 112.203 -176.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.8 m -71.92 -40.73 68.59 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.182 0.993 . . . . 0.0 111.305 174.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.5 m -62.53 -36.86 83.93 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.51 -0.744 . . . . 0.0 112.724 169.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 36.1 mmt -69.39 -38.61 78.07 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.603 1.092 . . . . 0.0 111.94 175.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tt -65.93 -38.89 89.84 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.326 1.05 . . . . 0.0 111.173 173.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.36 -39.82 94.37 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 124.727 1.156 . . . . 0.0 112.191 174.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.4 m -67.84 -41.93 82.19 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.02 0.928 . . . . 0.0 110.897 175.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 tt -58.9 -42.87 90.62 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.44 1.096 . . . . 0.0 112.002 171.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.5 m -68.23 -38.49 81.92 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.101 0.961 . . . . 0.0 111.221 177.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -66.44 -37.49 85.27 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.894 1.278 . . . . 0.0 111.067 175.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -70.47 -40.66 73.52 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.441 1.496 . . . . 0.0 111.095 176.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.8 m-30 -61.0 -39.12 88.48 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.47 -0.769 . . . . 0.0 112.768 169.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -64.61 -44.1 91.65 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.169 1.387 . . . . 0.0 111.617 174.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -57.09 -56.72 18.08 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.848 1.259 . . . . 0.0 111.115 172.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 . . . . . 0 N--CA 1.475 0.786 0 C-N-CA 125.13 1.372 . . . . 0.0 113.105 176.253 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 N--CA 1.469 0.485 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.0 m -63.38 -33.66 76.03 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.154 0.982 . . . . 0.0 112.194 -176.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.9 m -72.01 -41.04 68.05 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.262 1.025 . . . . 0.0 111.355 174.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 m -62.26 -37.65 86.28 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.572 -0.705 . . . . 0.0 112.762 170.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.4 mmm -68.66 -39.18 80.75 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.146 -0.971 . . . . 0.0 111.927 175.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tt -66.23 -38.95 89.14 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.346 1.059 . . . . 0.0 111.082 174.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.23 -39.57 94.49 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 124.634 1.111 . . . . 0.0 112.357 174.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.3 m -68.25 -41.02 81.74 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.036 0.934 . . . . 0.0 111.035 174.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 tt -60.34 -41.63 93.99 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.478 1.111 . . . . 0.0 112.04 171.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.5 m -68.88 -38.57 79.75 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.002 0.921 . . . . 0.0 110.988 177.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.5 tp60 -65.26 -35.57 81.45 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.993 1.317 . . . . 0.0 111.546 173.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -70.96 -42.05 70.28 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.673 1.189 . . . . 0.0 110.967 176.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.8 m-30 -63.98 -37.7 88.37 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 170.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -60.9 -45.39 94.81 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.765 1.226 . . . . 0.0 110.84 172.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -54.73 -55.41 30.15 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.177 0.991 . . . . 0.0 111.673 172.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 . . . . . 0 CA--C 1.54 0.559 0 N-CA-C 113.793 1.034 . . . . 0.0 113.793 -176.853 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 N--CA 1.475 0.795 0 CA-C-O 121.242 0.544 . . . . 0.0 111.511 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.1 p -58.25 -40.36 81.56 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 126.462 1.905 . . . . 0.0 112.995 177.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.9 m -66.21 -40.13 90.11 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.5 1.12 . . . . 0.0 111.019 176.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.93 -39.88 94.18 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.303 1.041 . . . . 0.0 112.256 173.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 92.1 mmm -68.0 -38.59 82.82 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.466 -0.771 . . . . 0.0 111.946 175.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.4 tt -66.52 -39.04 88.42 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.629 1.172 . . . . 0.0 111.129 174.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.39 -39.96 94.35 Favored Glycine 0 CA--C 1.528 0.879 0 C-N-CA 124.462 1.029 . . . . 0.0 112.31 174.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.3 m -68.33 -40.03 81.73 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.243 1.017 . . . . 0.0 110.994 175.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.1 tt -60.3 -44.05 95.73 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.078 0.951 . . . . 0.0 111.526 170.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.8 m -66.87 -38.12 85.72 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.224 -0.922 . . . . 0.0 111.012 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -63.24 -35.44 80.34 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.325 1.45 . . . . 0.0 111.28 172.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -72.18 -39.29 68.77 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.603 1.161 . . . . 0.0 111.93 177.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -66.88 -36.55 82.56 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 121.22 -0.925 . . . . 0.0 113.328 169.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -58.71 -45.66 89.05 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.687 1.195 . . . . 0.0 110.87 172.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -54.23 -61.31 2.39 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.684 1.193 . . . . 0.0 110.97 171.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 . . . . . 0 CA--C 1.543 0.677 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 -175.321 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.3 tm? . . . . . 0 N--CA 1.469 0.511 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.6 m -64.37 -33.12 75.12 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.446 1.098 . . . . 0.0 112.383 -177.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 96.1 m -71.92 -40.21 68.94 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.058 0.943 . . . . 0.0 111.274 174.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.6 m -62.17 -36.98 83.53 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.575 -0.703 . . . . 0.0 112.762 169.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.2 mmt -68.15 -40.33 82.43 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.448 1.022 . . . . 0.0 111.855 174.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tt -66.13 -39.02 89.55 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.423 1.089 . . . . 0.0 111.091 175.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.46 -39.71 94.16 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 124.745 1.164 . . . . 0.0 112.148 175.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.0 m -68.08 -42.28 80.62 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.053 0.941 . . . . 0.0 110.967 175.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 tt -58.41 -43.4 88.6 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.518 1.127 . . . . 0.0 111.87 171.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.7 m -68.03 -38.31 82.37 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.318 1.047 . . . . 0.0 111.252 177.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.6 tp60 -66.5 -36.83 83.7 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.71 1.204 . . . . 0.0 111.296 175.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.06 -46.14 75.27 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.018 1.327 . . . . 0.0 110.426 173.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.9 m-30 -59.42 -39.01 82.14 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.57 -0.706 . . . . 0.0 112.809 173.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -63.7 -45.73 88.7 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.371 1.469 . . . . 0.0 111.251 174.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -58.83 -56.42 22.4 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.392 1.077 . . . . 0.0 111.605 174.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 . . . . . 0 N--CA 1.471 0.599 0 C-N-CA 124.227 1.011 . . . . 0.0 112.679 177.941 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 tt . . . . . 0 N--CA 1.47 0.57 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.7 m -63.74 -30.78 71.84 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.058 0.943 . . . . 0.0 112.549 -178.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 89.1 m -72.28 -39.75 68.09 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.535 1.134 . . . . 0.0 111.257 173.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 83.1 m -59.35 -39.0 81.81 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 166.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 92.6 mmm -68.56 -38.05 80.44 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 119.504 1.047 . . . . 0.0 112.011 176.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.4 tt -66.5 -39.24 88.61 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.42 1.088 . . . . 0.0 111.035 174.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.23 -39.21 94.36 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 124.736 1.16 . . . . 0.0 112.286 174.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.5 m -69.65 -40.44 76.47 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.006 0.922 . . . . 0.0 111.087 175.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 tt -59.13 -42.64 91.12 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.464 1.106 . . . . 0.0 111.815 170.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.5 m -67.67 -37.79 82.84 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.2 1.0 . . . . 0.0 111.036 177.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -66.36 -39.74 89.32 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.64 1.176 . . . . 0.0 111.423 174.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -67.45 -41.4 84.76 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.607 1.563 . . . . 0.0 110.252 177.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.4 m-30 -63.13 -38.6 91.81 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.396 -0.815 . . . . 0.0 112.995 170.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -61.68 -45.32 94.51 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.839 1.255 . . . . 0.0 111.309 172.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -55.31 -53.29 58.01 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.422 1.489 . . . . 0.0 111.881 173.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 . . . . . 0 CA--C 1.539 0.541 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 177.8 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.9 tt . . . . . 0 N--CA 1.467 0.384 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.4 m -64.36 -32.99 74.82 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.96 0.904 . . . . 0.0 111.872 -172.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 53.1 m -72.53 -42.82 64.32 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.663 0.785 . . . . 0.0 111.195 174.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.7 m -63.59 -34.65 78.29 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 171.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.2 mmt -68.65 -39.46 80.68 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 120.016 1.28 . . . . 0.0 111.773 173.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.2 tt -66.02 -38.94 89.7 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.192 0.997 . . . . 0.0 111.1 174.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.55 -39.64 93.98 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 124.823 1.202 . . . . 0.0 112.217 175.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.4 m -67.98 -42.31 81.0 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.82 0.848 . . . . 0.0 110.946 174.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 tt -58.6 -43.46 89.54 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.362 1.065 . . . . 0.0 111.881 171.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 91.8 m -67.76 -37.8 82.59 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.543 1.137 . . . . 0.0 111.291 178.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.9 tp60 -64.58 -39.32 93.52 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.634 1.174 . . . . 0.0 110.606 173.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.41 -37.29 68.7 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.321 -0.862 . . . . 0.0 111.522 178.279 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 -61.34 -39.01 88.98 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.331 -0.856 . . . . 0.0 112.834 168.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.18 -46.32 89.46 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.531 1.132 . . . . 0.0 110.874 173.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -59.26 -49.52 77.51 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 125.05 1.34 . . . . 0.0 111.682 177.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 . . . . . 0 N--CA 1.474 0.741 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 172.487 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 N--CA 1.47 0.54 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.1 m -63.5 -33.58 75.89 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.144 0.978 . . . . 0.0 112.168 -176.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 95.1 m -72.1 -40.9 67.85 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.209 1.004 . . . . 0.0 111.377 174.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 m -62.31 -37.62 86.26 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.531 -0.73 . . . . 0.0 112.714 170.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.4 mmm -68.84 -38.89 80.12 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.324 0.966 . . . . 0.0 111.875 175.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.2 tt -66.4 -38.81 88.32 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.313 1.045 . . . . 0.0 111.144 174.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.66 -40.0 93.9 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 124.664 1.126 . . . . 0.0 112.304 175.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.6 m -68.6 -39.55 80.82 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.073 0.949 . . . . 0.0 111.099 175.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.2 tt -61.23 -42.97 99.54 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.949 0.9 . . . . 0.0 111.781 170.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 91.1 m -66.81 -38.08 85.77 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.005 -1.059 . . . . 0.0 110.666 178.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -65.47 -36.92 85.33 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.832 1.253 . . . . 0.0 111.411 172.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -65.6 -43.18 90.43 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.835 1.254 . . . . 0.0 110.386 175.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -65.42 -40.14 92.98 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 172.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -55.09 -47.1 75.39 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.679 1.192 . . . . 0.0 110.505 170.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 tmmm? -66.2 -48.12 71.65 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 125.831 1.652 . . . . 0.0 112.017 -175.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 . . . . . 0 N--CA 1.473 0.714 0 C-N-CA 124.638 1.175 . . . . 0.0 113.444 173.4 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 33.6 t . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.567 0.222 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -175.39 -24.8 0.03 OUTLIER Glycine 0 CA--C 1.539 1.537 0 C-N-CA 125.687 1.613 . . . . 0.0 114.063 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -151.05 168.15 25.49 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.75 2.02 . . . . 0.0 110.462 172.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -51.5 -52.46 46.52 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.265 1.426 . . . . 0.0 112.464 -178.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.7 m -63.27 -33.67 76.02 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.126 0.97 . . . . 0.0 112.198 -176.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.5 m -72.02 -41.06 67.97 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.213 1.005 . . . . 0.0 111.366 174.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 m -62.36 -37.24 84.95 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.564 -0.71 . . . . 0.0 112.728 170.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.5 mmm -69.27 -39.82 78.16 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.381 0.992 . . . . 0.0 111.866 175.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.1 tt -65.74 -38.64 89.67 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.373 1.069 . . . . 0.0 111.155 174.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.36 -43.99 94.14 Favored Glycine 0 CA--C 1.525 0.704 0 C-N-CA 124.556 1.074 . . . . 0.0 111.736 174.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.4 m -65.73 -39.89 91.61 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.793 0.837 . . . . 0.0 110.939 176.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 tt -59.62 -40.12 86.52 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.324 1.049 . . . . 0.0 112.152 170.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 84.9 m -69.84 -38.54 76.54 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.934 0.893 . . . . 0.0 111.187 178.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -64.55 -38.03 89.59 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.634 1.173 . . . . 0.0 111.994 172.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -68.26 -42.16 80.03 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 124.499 1.119 . . . . 0.0 110.926 178.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.5 m-30 -65.72 -38.39 89.05 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.641 0.777 . . . . 0.0 113.067 170.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -58.19 -47.49 83.27 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.909 1.231 . . . . 0.0 110.328 173.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -54.28 -59.66 4.38 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.466 1.107 . . . . 0.0 111.104 174.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -71.65 -17.37 62.26 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -173.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.3 t60 -72.09 -48.25 45.37 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 123.94 0.896 . . . . 0.0 112.153 175.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.2 t -79.04 -30.05 43.89 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -176.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -158.67 155.4 24.97 Favored Pre-proline 0 N--CA 1.479 1.022 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 -170.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -85.05 -40.69 0.08 OUTLIER 'Trans proline' 0 CA--C 1.544 0.988 0 C-N-CA 123.721 2.947 . . . . 0.0 114.467 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -89.26 -0.13 57.22 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.944 1.298 . . . . 0.0 113.369 -178.234 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.6 t -27.21 -27.48 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.824 1 C-N-CA 133.588 4.755 . . . . 0.0 119.305 179.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -59.88 -14.42 15.28 Favored 'General case' 0 CA--C 1.551 0.983 0 O-C-N 120.402 -1.436 . . . . 0.0 114.157 176.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.1 t -104.72 -2.96 24.23 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.959 1.704 . . . . 0.0 114.057 174.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -179.49 79.89 0.06 OUTLIER Glycine 0 CA--C 1.531 1.073 0 C-N-CA 125.797 1.665 . . . . 0.0 111.613 -167.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.2 m -56.97 -18.45 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.225 0 N-CA-C 116.267 1.951 . . . . 0.0 116.267 -166.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -136.16 36.56 1.99 Allowed Glycine 0 CA--C 1.533 1.166 0 C-N-CA 126.309 1.909 . . . . 0.0 112.268 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.4 m -144.91 140.18 16.0 Favored Pre-proline 0 N--CA 1.478 0.932 0 C-N-CA 124.941 1.296 . . . . 0.0 111.109 -164.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -72.33 169.03 22.63 Favored 'Trans proline' 0 CA--C 1.542 0.896 0 C-N-CA 123.146 2.564 . . . . 0.0 112.996 174.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.378 0 O-C-N 120.334 -1.479 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.3 p . . . . . 0 N--CA 1.483 1.203 0 CA-C-O 121.048 0.451 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.69 -63.79 3.7 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 126.019 1.771 . . . . 0.0 112.684 -171.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 -150.11 174.02 13.23 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 128.815 2.846 . . . . 0.0 107.33 167.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -58.97 -54.98 41.07 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 120.804 -1.185 . . . . 0.0 111.132 172.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 m -66.0 -33.54 76.04 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.821 1.248 . . . . 0.0 112.24 -178.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 51.3 m -65.19 -40.8 94.7 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.404 0.682 . . . . 0.0 110.811 172.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 t -67.25 -39.06 86.09 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.925 -0.484 . . . . 0.0 112.123 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.3 mmm -66.6 -39.01 88.19 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.657 0.783 . . . . 0.0 111.955 174.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.4 tt -66.84 -39.37 87.61 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.397 1.079 . . . . 0.0 111.128 174.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.53 -39.15 95.42 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 124.502 1.048 . . . . 0.0 112.244 174.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.1 m -68.61 -41.33 79.69 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.207 1.003 . . . . 0.0 111.104 175.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 tt -60.41 -41.08 93.15 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.475 1.11 . . . . 0.0 112.046 171.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 86.6 m -69.36 -38.81 78.25 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.045 0.938 . . . . 0.0 110.958 177.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -64.84 -35.55 81.49 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.888 1.275 . . . . 0.0 111.448 172.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -71.09 -43.4 67.8 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.668 1.187 . . . . 0.0 111.003 177.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -62.07 -39.29 91.91 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.377 0.671 . . . . 0.0 112.796 170.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -61.62 -46.12 91.17 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.7 1.2 . . . . 0.0 110.857 174.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -55.34 -54.84 38.52 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.043 1.337 . . . . 0.0 111.558 174.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -66.39 -20.8 66.17 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 178.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -76.79 -46.04 26.5 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.611 1.165 . . . . 0.0 112.556 172.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.9 t -74.05 -24.11 59.48 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 118.613 0.642 . . . . 0.0 112.38 -176.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -155.11 141.87 13.41 Favored Pre-proline 0 CA--C 1.547 0.837 0 C-N-CA 123.641 0.776 . . . . 0.0 112.175 171.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -67.63 -29.17 36.87 Favored 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 122.841 2.361 . . . . 0.0 115.855 -160.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -116.14 -13.11 11.17 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.905 1.282 . . . . 0.0 113.863 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 t 42.88 -6.9 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.41 1 C-N-CA 132.656 4.382 . . . . 0.0 121.443 173.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -51.04 -23.67 3.2 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 117.039 2.237 . . . . 0.0 117.039 -171.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.6 t -68.86 -15.46 63.5 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 175.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 145.69 -54.31 0.55 Allowed Glycine 0 CA--C 1.527 0.837 0 C-N-CA 126.13 1.824 . . . . 0.0 112.822 174.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.91 -44.23 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 127.399 2.279 . . . . 0.0 110.302 167.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.93 -0.2 86.12 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.56 1.076 . . . . 0.0 115.169 176.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 26.6 m -42.05 111.42 0.92 Allowed Pre-proline 0 N--CA 1.477 0.906 0 C-N-CA 126.75 2.02 . . . . 0.0 112.86 -177.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -79.84 8.07 4.23 Favored 'Trans proline' 0 CA--C 1.546 1.109 0 C-N-CA 123.672 2.915 . . . . 0.0 114.741 -170.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 O-C-N 119.599 -1.938 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 119.59 -0.243 . . . . 0.0 110.676 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -53.25 -46.03 63.74 Favored Glycine 0 CA--C 1.539 1.547 0 C-N-CA 124.984 1.278 . . . . 0.0 116.051 -174.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -157.16 161.63 39.34 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.392 1.477 . . . . 0.0 111.407 171.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -50.64 -52.24 41.54 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 125.373 1.469 . . . . 0.0 112.535 -175.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.3 m -63.5 -35.64 81.12 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.224 1.01 . . . . 0.0 112.046 -176.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 97.4 m -69.44 -41.22 76.57 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.917 0.887 . . . . 0.0 111.139 173.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.9 m -65.21 -36.52 84.43 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.589 -0.694 . . . . 0.0 112.054 175.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 35.1 mmt -69.18 -39.13 78.89 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.911 0.884 . . . . 0.0 111.872 174.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tt -65.65 -39.04 90.98 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.066 0.947 . . . . 0.0 111.043 173.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.67 -39.31 93.71 Favored Glycine 0 CA--C 1.53 1.021 0 C-N-CA 124.669 1.128 . . . . 0.0 112.331 174.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.9 m -66.94 -42.66 84.89 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.185 0.994 . . . . 0.0 110.759 174.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tt -59.91 -42.23 93.44 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.603 1.161 . . . . 0.0 112.017 172.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.3 m -69.27 -39.43 78.4 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.183 0.993 . . . . 0.0 111.246 178.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -62.53 -38.33 89.55 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.664 1.586 . . . . 0.0 110.99 172.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -74.64 -37.7 62.69 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.035 0.934 . . . . 0.0 112.095 179.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.5 m-30 -63.09 -40.22 97.03 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.18 -0.95 . . . . 0.0 112.54 167.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -61.58 -44.75 96.45 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.329 1.452 . . . . 0.0 110.83 175.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -54.17 -57.99 9.04 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.677 1.591 . . . . 0.0 112.974 169.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -68.09 -24.53 65.06 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 -177.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -69.01 -47.26 65.91 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 124.616 1.166 . . . . 0.0 111.872 178.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.5 t -86.4 -18.65 31.23 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -178.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -155.2 101.3 2.27 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 123.54 0.736 . . . . 0.0 111.055 -175.051 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -66.61 -28.2 45.01 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 123.808 3.005 . . . . 0.0 114.648 -170.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -82.11 -11.13 58.93 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.754 1.621 . . . . 0.0 113.852 172.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.2 t 44.75 -7.85 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.23 1 C-N-CA 132.119 4.168 . . . . 0.0 120.985 179.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.2 p-10 -46.57 -36.54 6.97 Favored 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 117.59 2.441 . . . . 0.0 117.59 -167.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.3 m -163.78 114.36 1.32 Allowed 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.614 1.965 . . . . 0.0 108.536 173.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 138.19 70.11 0.05 OUTLIER Glycine 0 CA--C 1.528 0.85 0 C-N-CA 125.314 1.435 . . . . 0.0 112.988 172.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.2 m -58.07 -30.53 39.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 -169.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -136.38 19.47 3.6 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 125.07 1.319 . . . . 0.0 114.227 -173.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 85.7 m -158.18 134.95 6.6 Favored Pre-proline 0 N--CA 1.481 1.093 0 CA-C-N 118.902 1.351 . . . . 0.0 109.803 -175.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -77.3 36.8 0.56 Allowed 'Trans proline' 0 CA--C 1.55 1.322 0 C-N-CA 124.674 3.583 . . . . 0.0 113.489 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.354 0 O-C-N 119.123 -2.236 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 10.0 t . . . . . 0 N--CA 1.485 1.32 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -169.48 -36.02 0.02 OUTLIER Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.544 1.068 . . . . 0.0 115.077 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -152.35 162.7 40.8 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.335 1.454 . . . . 0.0 111.01 170.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.1 tt -50.7 -52.49 39.69 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.221 1.408 . . . . 0.0 112.42 -175.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.8 m -63.4 -35.38 80.22 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.317 1.047 . . . . 0.0 111.895 -175.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 97.2 m -69.17 -41.08 77.69 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.06 0.944 . . . . 0.0 111.082 172.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.8 m -65.34 -37.91 88.51 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 118.733 0.697 . . . . 0.0 112.281 175.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.9 mmm -67.98 -39.51 83.27 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.355 -0.841 . . . . 0.0 111.941 174.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.2 tt -65.88 -38.97 90.2 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.034 0.934 . . . . 0.0 111.21 174.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.28 -43.2 95.6 Favored Glycine 0 CA--C 1.526 0.733 0 C-N-CA 124.711 1.148 . . . . 0.0 111.789 175.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.4 m -68.95 -38.51 79.48 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.724 1.21 . . . . 0.0 111.384 176.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 tt -57.27 -40.91 78.66 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.891 0.876 . . . . 0.0 111.443 168.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.2 m -69.44 -37.83 77.56 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.093 0.957 . . . . 0.0 111.513 177.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -63.82 -40.41 96.55 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.608 -0.682 . . . . 0.0 110.946 172.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -72.69 -35.3 67.62 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.448 0.699 . . . . 0.0 112.166 -178.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.8 m-30 -62.5 -37.13 84.82 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.303 1.041 . . . . 0.0 112.835 165.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -63.26 -48.58 77.57 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.08 0.855 . . . . 0.0 110.568 171.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -58.52 -40.31 82.55 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.792 1.637 . . . . 0.0 113.07 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -67.61 -37.26 82.29 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.385 0.674 . . . . 0.0 112.797 168.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -63.42 -37.83 88.8 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 120.683 -1.26 . . . . 0.0 111.913 -177.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.0 t -77.62 -21.88 51.63 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 176.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -146.89 95.61 4.46 Favored Pre-proline 0 CA--C 1.554 1.124 0 C-N-CA 124.376 1.07 . . . . 0.0 111.405 176.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -60.73 -31.41 91.9 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 124.126 3.217 . . . . 0.0 116.592 -154.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -100.83 -6.75 24.36 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 -175.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.6 m -155.38 111.02 3.07 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.85 1.26 . . . . 0.0 109.86 -175.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.7 p-10 -60.57 40.75 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 128.689 2.795 . . . . 0.0 116.757 175.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.8 t -130.87 -6.11 4.0 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.42 1.488 . . . . 0.0 114.194 -175.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.82 47.53 1.86 Allowed Glycine 0 N--CA 1.473 1.115 0 C-N-CA 125.535 1.54 . . . . 0.0 111.985 -176.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.8 p -48.83 -18.16 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 129.901 3.28 . . . . 0.0 116.011 -166.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -145.78 14.6 1.76 Allowed Glycine 0 CA--C 1.537 1.412 0 C-N-CA 124.367 0.984 . . . . 0.0 115.539 170.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.6 m -161.41 134.03 4.43 Favored Pre-proline 0 N--CA 1.481 1.122 0 CA-C-N 119.414 1.607 . . . . 0.0 110.213 -178.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -74.43 54.12 3.27 Favored 'Trans proline' 0 CA--C 1.55 1.288 0 C-N-CA 124.873 3.715 . . . . 0.0 113.307 176.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.414 0 O-C-N 119.342 -2.099 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.488 1.454 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -57.81 -35.9 77.11 Favored Glycine 0 CA--C 1.538 1.518 0 O-C-N 121.343 -0.848 . . . . 0.0 114.34 176.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -150.06 169.98 19.95 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.851 2.06 . . . . 0.0 109.689 174.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.3 tt -59.58 -49.1 79.09 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.371 1.068 . . . . 0.0 110.742 168.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.6 p -56.94 -36.42 70.23 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.84 1.656 . . . . 0.0 113.425 173.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.0 m -67.17 -41.63 85.64 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.192 0.997 . . . . 0.0 110.839 174.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 80.6 m -61.86 -38.98 90.28 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 170.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.4 mmm -68.17 -38.24 81.86 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.38 0.991 . . . . 0.0 112.016 176.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.4 tt -66.88 -39.44 87.5 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.609 1.164 . . . . 0.0 111.056 174.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.87 -40.07 95.33 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 124.602 1.096 . . . . 0.0 112.167 174.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.5 m -68.3 -40.46 81.73 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.249 1.019 . . . . 0.0 110.976 175.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.6 tt -60.08 -45.05 94.19 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.092 0.957 . . . . 0.0 111.545 171.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.1 m -66.55 -38.07 86.34 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.221 1.008 . . . . 0.0 111.088 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.5 tp60 -61.83 -39.27 91.23 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.913 1.285 . . . . 0.0 110.69 171.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -38.74 86.86 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.742 1.217 . . . . 0.0 111.734 176.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -66.88 -38.03 85.54 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 171.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -59.73 -44.76 93.63 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.428 1.091 . . . . 0.0 111.088 170.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -57.75 -54.29 48.61 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.114 1.366 . . . . 0.0 111.49 173.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -57.77 -34.08 69.2 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.757 0.823 . . . . 0.0 112.292 177.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -69.06 -44.73 72.0 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.926 1.29 . . . . 0.0 112.318 -179.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.5 t -75.84 -28.96 58.42 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -165.22 123.0 1.11 Allowed Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 125.924 1.69 . . . . 0.0 110.781 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -61.12 -22.2 73.96 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 122.914 2.409 . . . . 0.0 115.026 -177.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -110.33 -2.8 16.52 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.368 1.867 . . . . 0.0 115.095 -173.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.4 t -76.78 -4.84 45.57 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 -176.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -60.99 -8.94 3.59 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 116.858 2.17 . . . . 0.0 116.858 -164.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.2 t -67.55 -13.19 61.84 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 164.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -140.47 -100.66 0.44 Allowed Glycine 0 CA--C 1.534 1.245 0 C-N-CA 126.059 1.79 . . . . 0.0 113.266 -175.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.1 p -156.64 -47.0 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 N-CA-C 115.875 1.806 . . . . 0.0 115.875 -169.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 177.25 62.63 0.06 OUTLIER Glycine 0 N--CA 1.471 0.981 0 CA-C-N 119.254 0.934 . . . . 0.0 113.183 -165.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.8 m -154.33 138.99 11.55 Favored Pre-proline 0 N--CA 1.481 1.091 0 C-N-CA 126.063 1.745 . . . . 0.0 110.147 -168.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.99 -35.7 41.88 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 122.367 2.044 . . . . 0.0 113.787 -176.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.403 0 O-C-N 120.483 -1.386 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 10.1 t . . . . . 0 N--CA 1.485 1.315 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -169.36 -36.16 0.02 OUTLIER Glycine 0 CA--C 1.538 1.52 0 C-N-CA 124.66 1.124 . . . . 0.0 115.052 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -152.42 162.5 41.1 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.243 1.417 . . . . 0.0 111.176 171.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -50.77 -52.2 43.06 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.383 1.473 . . . . 0.0 112.561 -175.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.1 m -63.04 -35.68 81.04 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.186 0.994 . . . . 0.0 111.999 -176.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 98.8 m -69.84 -41.3 75.1 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.969 0.908 . . . . 0.0 111.214 173.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.3 m -64.97 -37.19 86.84 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.642 -0.661 . . . . 0.0 112.147 175.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 92.0 mmm -68.42 -39.42 81.58 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.797 0.839 . . . . 0.0 111.863 174.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.4 tt -65.89 -39.22 90.43 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.146 0.978 . . . . 0.0 111.143 174.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.5 -39.02 93.89 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.732 1.158 . . . . 0.0 112.335 175.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.6 m -68.71 -40.67 79.84 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.04 0.936 . . . . 0.0 111.04 174.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 tt -60.95 -41.27 95.99 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.417 1.087 . . . . 0.0 112.091 171.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.4 m -68.54 -39.15 81.24 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.073 0.949 . . . . 0.0 110.703 177.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -65.51 -36.45 83.87 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.875 1.27 . . . . 0.0 111.576 172.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -68.68 -43.09 76.85 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.598 1.159 . . . . 0.0 110.479 177.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -63.38 -42.51 98.85 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 171.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -56.26 -46.97 79.45 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.434 1.494 . . . . 0.0 110.719 173.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 tmmm? -62.95 -53.74 49.34 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 125.706 1.602 . . . . 0.0 110.722 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -59.68 -26.56 65.67 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.622 0.769 . . . . 0.0 112.9 177.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -74.49 -46.98 35.94 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.934 0.894 . . . . 0.0 113.228 174.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.4 t -79.01 -29.39 43.64 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -178.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -176.06 114.32 0.27 Allowed Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 126.086 1.754 . . . . 0.0 111.559 -178.048 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -69.12 -29.84 26.23 Favored 'Trans proline' 0 CA--C 1.539 0.739 0 C-N-CA 122.785 2.323 . . . . 0.0 115.028 -175.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -128.77 -12.94 4.76 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 115.865 1.802 . . . . 0.0 115.865 -161.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.6 m -63.91 -51.58 63.82 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.474 1.11 . . . . 0.0 112.458 -173.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.8 p30 -153.94 156.11 36.88 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 126.043 1.737 . . . . 0.0 109.361 161.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.4 t -87.48 -11.61 48.48 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 -175.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.2 -50.0 18.81 Favored Glycine 0 N--CA 1.468 0.818 0 C-N-CA 124.559 1.076 . . . . 0.0 114.101 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.2 p -142.78 -26.12 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.862 1.265 . . . . 0.0 113.669 -171.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.79 -31.62 3.91 Favored Glycine 0 CA--C 1.527 0.788 0 C-N-CA 125.429 1.49 . . . . 0.0 112.641 175.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 43.8 p -61.83 138.04 95.39 Favored Pre-proline 0 CA--C 1.54 0.595 0 CA-C-N 117.854 0.827 . . . . 0.0 110.734 174.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -76.32 -10.66 19.15 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 123.275 2.65 . . . . 0.0 114.453 -171.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 O-C-N 120.054 -1.654 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 10.1 t . . . . . 0 N--CA 1.485 1.298 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -169.53 -36.18 0.02 OUTLIER Glycine 0 CA--C 1.538 1.529 0 O-C-N 120.885 -1.134 . . . . 0.0 115.002 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -152.2 162.75 40.67 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.383 1.473 . . . . 0.0 111.061 170.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.9 tt -50.53 -52.58 37.36 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.269 1.428 . . . . 0.0 112.432 -175.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.1 m -63.64 -35.37 80.31 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.218 1.007 . . . . 0.0 111.94 -175.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 98.0 m -68.91 -40.8 78.89 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.952 0.901 . . . . 0.0 111.124 172.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.3 m -65.29 -37.75 88.11 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.571 -0.706 . . . . 0.0 112.3 175.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.9 mmt -67.25 -39.59 86.16 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.348 -0.845 . . . . 0.0 111.871 174.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.4 tt -66.44 -39.2 88.76 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.185 0.994 . . . . 0.0 111.126 175.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.95 -38.81 93.09 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 124.82 1.2 . . . . 0.0 112.312 175.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.1 m -68.77 -41.24 79.11 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.982 0.913 . . . . 0.0 111.013 174.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 tt -59.56 -42.59 92.74 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.435 1.094 . . . . 0.0 111.906 171.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.0 m -68.44 -38.65 81.35 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.271 1.028 . . . . 0.0 111.126 177.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -64.3 -37.36 87.21 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.392 1.077 . . . . 0.0 111.192 173.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -73.05 -38.43 66.5 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.937 0.895 . . . . 0.0 111.641 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 -62.14 -37.0 83.52 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.305 -0.872 . . . . 0.0 112.8 167.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -48.08 81.52 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 119.444 1.02 . . . . 0.0 110.704 172.436 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -56.74 -49.52 74.97 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.965 1.306 . . . . 0.0 111.878 177.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -70.67 -24.53 62.7 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 177.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -71.07 -46.68 61.45 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.229 1.012 . . . . 0.0 111.873 173.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.9 t -75.31 -22.49 57.65 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -177.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -158.8 120.38 1.9 Allowed Pre-proline 0 CA--C 1.548 0.871 0 C-N-CA 124.676 1.19 . . . . 0.0 111.139 173.132 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -59.23 -22.82 66.77 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 123.163 2.575 . . . . 0.0 116.647 -176.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -138.68 -25.62 0.9 Allowed 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 116.426 2.01 . . . . 0.0 116.426 -178.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.3 m -56.99 -55.07 39.45 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 115.086 1.513 . . . . 0.0 115.086 -164.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 44.1 40.46 3.48 Favored 'General case' 0 CA--C 1.556 1.187 0 N-CA-C 115.482 1.66 . . . . 0.0 115.482 173.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.9 m -110.58 -51.72 2.84 Favored 'General case' 0 N--CA 1.484 1.269 0 O-C-N 121.254 -0.904 . . . . 0.0 113.119 -167.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.91 -53.84 5.61 Favored Glycine 0 N--CA 1.472 1.087 0 C-N-CA 124.118 0.865 . . . . 0.0 111.139 170.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.5 p -149.18 -52.58 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 125.284 1.434 . . . . 0.0 109.664 158.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -131.01 -46.28 0.14 Allowed Glycine 0 N--CA 1.471 1.012 0 C-N-CA 127.069 2.271 . . . . 0.0 109.448 167.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.7 p -49.06 162.72 0.37 Allowed Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 127.727 2.411 . . . . 0.0 113.564 156.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -75.3 -12.58 20.94 Favored 'Trans proline' 0 CA--C 1.543 0.939 0 C-N-CA 123.423 2.749 . . . . 0.0 114.109 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 O-C-N 120.043 -1.661 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 10.2 t . . . . . 0 N--CA 1.485 1.316 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -169.36 -36.09 0.02 OUTLIER Glycine 0 CA--C 1.538 1.518 0 O-C-N 120.945 -1.097 . . . . 0.0 115.039 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -152.41 162.57 40.99 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.211 1.404 . . . . 0.0 111.196 171.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -50.9 -52.11 45.22 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.495 1.518 . . . . 0.0 112.543 -175.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.3 m -63.24 -35.56 80.74 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.258 1.023 . . . . 0.0 111.959 -176.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 98.6 m -69.86 -41.28 75.03 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.021 0.928 . . . . 0.0 111.168 173.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.3 m -64.93 -37.17 86.75 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.561 -0.712 . . . . 0.0 112.15 175.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 92.1 mmm -68.62 -39.21 80.91 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.761 0.824 . . . . 0.0 111.861 174.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tt -66.0 -39.15 90.04 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.129 0.972 . . . . 0.0 111.045 174.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.54 -39.42 93.94 Favored Glycine 0 CA--C 1.53 0.995 0 C-N-CA 124.731 1.158 . . . . 0.0 112.301 175.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.2 m -68.6 -40.42 80.46 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.997 0.919 . . . . 0.0 110.981 175.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.8 tt -60.84 -42.93 98.76 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.155 0.982 . . . . 0.0 111.755 171.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.3 m -67.45 -39.06 85.35 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.25 -0.907 . . . . 0.0 110.719 178.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 50.7 tp60 -63.13 -34.99 78.81 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.847 1.259 . . . . 0.0 111.08 171.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -69.44 -44.31 71.53 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 124.545 1.138 . . . . 0.0 111.313 177.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -62.7 -38.48 90.57 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 171.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -64.76 -43.24 93.9 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.03 1.332 . . . . 0.0 111.547 175.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -55.64 -51.16 68.16 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.204 1.402 . . . . 0.0 111.819 171.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -63.34 -27.09 69.08 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 175.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -74.61 -41.03 61.16 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.448 1.099 . . . . 0.0 112.912 175.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.9 t -71.05 -36.01 72.14 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 118.828 0.74 . . . . 0.0 111.112 173.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -164.42 143.04 5.76 Favored Pre-proline 0 CA--C 1.553 1.068 0 N-CA-C 116.482 2.03 . . . . 0.0 116.482 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -73.74 -57.38 0.07 OUTLIER 'Trans proline' 0 CA--C 1.545 1.065 0 C-N-CA 123.072 2.515 . . . . 0.0 115.88 -179.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -128.02 -8.67 5.42 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 117.775 2.509 . . . . 0.0 117.775 -162.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.3 m -140.79 -101.74 0.15 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.814 1.646 . . . . 0.0 110.18 175.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -155.76 162.23 40.55 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 121.052 1.751 . . . . 0.0 113.034 168.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.4 m -139.15 -42.9 0.46 Allowed 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 126.024 1.73 . . . . 0.0 111.102 159.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -108.98 -94.47 2.33 Favored Glycine 0 CA--C 1.529 0.969 0 C-N-CA 124.111 0.862 . . . . 0.0 113.021 177.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.7 p -59.82 -30.05 44.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.298 0 N-CA-C 115.359 1.614 . . . . 0.0 115.359 -158.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.18 -2.54 4.31 Favored Glycine 0 CA--C 1.533 1.165 0 CA-C-O 118.242 -1.31 . . . . 0.0 115.59 176.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.9 m -157.42 140.29 10.8 Favored Pre-proline 0 N--CA 1.48 1.049 0 CA-C-N 120.184 1.992 . . . . 0.0 110.918 -157.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -71.35 146.92 51.77 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.342 2.028 . . . . 0.0 112.604 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.67 0 O-C-N 120.811 -1.181 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 5.1 t . . . . . 0 N--CA 1.488 1.459 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 161.72 -32.77 0.35 Allowed Glycine 0 N--CA 1.482 1.722 0 O-C-N 121.236 -0.915 . . . . 0.0 114.255 177.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.417 ' H ' ' HB ' ' A' ' 6' ' ' THR . 18.0 m-80 -138.08 172.27 13.17 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 128.229 2.612 . . . . 0.0 107.365 167.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -56.7 -56.64 18.83 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.046 0.839 . . . . 0.0 111.927 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.3 m -65.02 -33.15 75.36 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.52 1.128 . . . . 0.0 112.155 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.417 ' HB ' ' H ' ' A' ' 3' ' ' ASN . 20.6 m -65.91 -41.36 91.54 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.958 0.903 . . . . 0.0 111.149 173.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -67.88 -37.3 81.6 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.367 1.067 . . . . 0.0 112.293 175.391 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.1 mmm -67.15 -39.35 86.51 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.503 -0.748 . . . . 0.0 111.873 173.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tt -66.54 -39.06 88.37 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.486 1.114 . . . . 0.0 111.136 174.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.07 -38.94 94.47 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 124.48 1.038 . . . . 0.0 112.374 174.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.1 m -68.64 -42.09 78.48 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.025 0.93 . . . . 0.0 110.819 174.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 tt -58.6 -42.14 87.45 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.358 1.063 . . . . 0.0 111.928 171.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.5 m -68.48 -38.53 81.1 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.407 1.083 . . . . 0.0 111.09 177.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.2 tp60 -64.58 -35.59 81.5 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.783 1.233 . . . . 0.0 111.124 173.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.444 ' HA ' ' HE3' ' A' ' 18' ' ' LYS . 2.8 t70 -73.06 -40.39 65.1 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.366 1.066 . . . . 0.0 111.808 177.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.8 m-30 -62.52 -36.06 81.38 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.491 1.116 . . . . 0.0 112.966 169.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -64.93 -47.7 76.76 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.346 1.058 . . . . 0.0 110.337 173.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.444 ' HE3' ' HA ' ' A' ' 15' ' ' ASP . 6.8 mtmt -60.52 -41.84 95.2 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.034 0.934 . . . . 0.0 112.759 175.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -62.49 -33.98 75.94 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.268 0.627 . . . . 0.0 112.661 169.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -70.05 -40.57 75.02 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.039 -1.038 . . . . 0.0 112.17 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 t -73.12 -31.77 64.52 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 171.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -144.14 94.51 5.78 Favored Pre-proline 0 CA--C 1.552 1.043 0 O-C-N 121.134 -0.979 . . . . 0.0 113.043 -179.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -68.53 -30.02 29.61 Favored 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 123.356 2.704 . . . . 0.0 115.676 -165.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -73.28 -23.58 60.32 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.1 m -158.67 110.63 2.21 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 124.761 1.224 . . . . 0.0 109.993 -168.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 46.5 p-10 -61.21 43.72 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 128.633 2.773 . . . . 0.0 116.363 174.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.6 t -136.75 -5.65 1.95 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 126.041 1.737 . . . . 0.0 113.941 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.57 44.34 3.25 Favored Glycine 0 N--CA 1.474 1.177 0 C-N-CA 125.633 1.587 . . . . 0.0 113.0 -175.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.4 p -47.35 -24.3 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 C-N-CA 130.138 3.375 . . . . 0.0 115.613 -171.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -146.58 23.51 1.67 Allowed Glycine 0 CA--C 1.535 1.287 0 C-N-CA 125.07 1.319 . . . . 0.0 113.523 171.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.1 m -154.98 102.4 2.29 Favored Pre-proline 0 N--CA 1.476 0.871 0 C-N-CA 125.632 1.573 . . . . 0.0 110.019 -175.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -60.24 26.48 0.04 OUTLIER 'Trans proline' 0 CA--C 1.552 1.396 1 C-N-CA 126.251 4.634 . . . . 0.0 117.613 172.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.428 0 O-C-N 119.002 -2.311 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 57.3 m . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.379 0.133 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -58.98 -34.84 80.72 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 123.973 0.797 . . . . 0.0 114.273 174.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -156.46 167.75 29.48 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.392 1.477 . . . . 0.0 111.02 170.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.37 -51.24 67.46 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 125.76 1.624 . . . . 0.0 112.412 -178.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.9 m -64.95 -33.55 76.31 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.624 1.169 . . . . 0.0 112.313 -176.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 75.2 m -69.7 -41.81 74.9 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.095 0.958 . . . . 0.0 110.709 173.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.22 -35.12 77.94 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 169.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.9 mmt -68.97 -39.69 79.3 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.585 1.084 . . . . 0.0 111.732 174.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tt -65.82 -39.09 90.52 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.421 1.088 . . . . 0.0 111.006 174.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.55 -39.0 93.81 Favored Glycine 0 CA--C 1.529 0.937 0 C-N-CA 124.775 1.179 . . . . 0.0 112.35 175.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.0 m -68.93 -41.87 77.53 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.999 0.919 . . . . 0.0 110.972 174.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 tt -58.61 -42.64 88.62 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.455 1.102 . . . . 0.0 111.867 171.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.5 m -68.35 -38.46 81.49 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.368 1.067 . . . . 0.0 111.199 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -65.29 -34.86 79.35 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.446 1.098 . . . . 0.0 111.11 173.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -74.41 -39.51 62.59 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.827 0.851 . . . . 0.0 111.649 177.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.3 m-30 -60.65 -36.98 80.01 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.375 -0.828 . . . . 0.0 112.548 167.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -67.21 -45.17 77.62 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.772 1.229 . . . . 0.0 111.3 174.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -58.95 -41.75 88.2 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.607 1.563 . . . . 0.0 112.782 173.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -62.57 -39.64 94.33 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.948 0.899 . . . . 0.0 112.031 169.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -67.76 -40.2 84.08 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.372 -0.83 . . . . 0.0 112.451 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.7 t -81.7 -24.03 36.44 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.456 0.702 . . . . 0.0 112.785 177.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -151.09 85.91 4.96 Favored Pre-proline 0 CA--C 1.55 0.959 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 176.181 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -69.51 -34.32 15.66 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.829 3.02 . . . . 0.0 115.468 -162.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.4 pm0 -84.05 -3.8 58.3 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 -176.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.9 m -134.76 -40.3 0.78 Allowed 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -168.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 59.2 t30 62.27 36.41 14.72 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.787 1.635 . . . . 0.0 113.442 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.5 m -166.15 110.31 0.8 Allowed 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 127.809 2.444 . . . . 0.0 107.421 168.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 152.06 72.07 0.01 OUTLIER Glycine 0 CA--C 1.525 0.699 0 C-N-CA 124.655 1.122 . . . . 0.0 111.967 -173.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.8 p -56.71 -18.09 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 N-CA-C 116.125 1.898 . . . . 0.0 116.125 -162.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -130.76 44.22 1.23 Allowed Glycine 0 CA--C 1.537 1.43 0 C-N-CA 125.709 1.623 . . . . 0.0 114.205 -177.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.9 m 42.49 70.89 1.56 Allowed Pre-proline 0 N--CA 1.485 1.288 0 C-N-CA 126.999 2.12 . . . . 0.0 114.847 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -54.13 -13.06 4.31 Favored 'Trans proline' 0 CA--C 1.545 1.054 0 C-N-CA 124.835 3.69 . . . . 0.0 117.379 176.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 O-C-N 119.783 -1.823 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 N-CA-C 110.183 -0.302 . . . . 0.0 110.183 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -58.25 -38.01 88.74 Favored Glycine 0 CA--C 1.539 1.563 0 O-C-N 121.455 -0.778 . . . . 0.0 114.285 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -162.15 171.53 17.28 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.812 2.045 . . . . 0.0 110.632 174.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.8 tt -53.58 -51.7 62.14 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.848 1.659 . . . . 0.0 112.212 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.3 m -63.87 -30.66 71.73 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.095 0.958 . . . . 0.0 112.531 -178.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 87.7 m -72.34 -39.68 67.98 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.468 1.107 . . . . 0.0 111.264 173.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 83.2 m -59.51 -39.05 82.56 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 166.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.9 mmm -68.31 -38.49 81.66 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.53 1.059 . . . . 0.0 111.975 176.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.5 tt -66.38 -39.52 89.14 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.445 1.098 . . . . 0.0 111.062 174.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.36 -39.45 94.24 Favored Glycine 0 CA--C 1.53 0.991 0 C-N-CA 124.547 1.07 . . . . 0.0 112.371 175.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.6 m -68.93 -40.78 78.84 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.05 0.94 . . . . 0.0 111.056 175.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.1 tt -59.21 -44.91 92.26 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.089 0.956 . . . . 0.0 111.423 171.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 92.1 m -66.95 -38.12 85.54 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.408 1.083 . . . . 0.0 111.056 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.3 tp60 -62.99 -33.89 76.36 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.839 1.256 . . . . 0.0 110.893 171.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.52 -39.76 64.54 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.991 0.916 . . . . 0.0 112.634 176.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -62.97 -37.23 86.28 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.548 -0.72 . . . . 0.0 112.795 168.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -63.04 -46.26 88.41 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.329 1.052 . . . . 0.0 111.0 171.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -56.68 -45.9 81.45 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.996 1.718 . . . . 0.0 112.589 175.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -63.65 -35.03 79.18 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.398 0.679 . . . . 0.0 112.629 171.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -70.12 -42.23 72.91 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.238 -0.914 . . . . 0.0 112.349 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.9 t -78.51 -28.01 46.18 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.058 0.543 . . . . 0.0 112.39 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -155.17 87.59 3.24 Favored Pre-proline 0 CA--C 1.551 1.012 0 C-N-CA 124.443 1.097 . . . . 0.0 112.003 177.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -67.52 -33.32 29.31 Favored 'Trans proline' 0 CA--C 1.535 0.553 0 C-N-CA 123.28 2.653 . . . . 0.0 114.789 -169.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.2 tm0? -70.94 -47.03 61.31 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.165 0.986 . . . . 0.0 112.233 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.1 -26.33 15.53 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.394 1.078 . . . . 0.0 113.836 -171.194 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 64.99 25.23 12.68 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 126.329 1.852 . . . . 0.0 113.317 178.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 26.6 m -161.78 112.0 1.6 Allowed 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.503 1.921 . . . . 0.0 109.055 171.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 177.18 63.97 0.06 OUTLIER Glycine 0 CA--C 1.522 0.496 0 C-N-CA 125.187 1.375 . . . . 0.0 111.748 -178.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.9 p -50.64 -18.06 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 C-N-CA 127.9 2.48 . . . . 0.0 116.341 -158.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -143.85 18.64 2.18 Favored Glycine 0 CA--C 1.538 1.49 0 CA-C-O 118.522 -1.154 . . . . 0.0 115.805 171.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.3 t -160.89 139.76 7.61 Favored Pre-proline 0 N--CA 1.478 0.936 0 CA-C-N 119.983 1.891 . . . . 0.0 113.748 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -79.26 6.59 4.96 Favored 'Trans proline' 0 CA--C 1.548 1.19 0 C-N-CA 124.175 3.25 . . . . 0.0 113.339 167.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 O-C-N 119.302 -2.124 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 33.7 t . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.626 0.251 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -175.15 -24.62 0.03 OUTLIER Glycine 0 CA--C 1.538 1.507 0 C-N-CA 125.657 1.598 . . . . 0.0 114.09 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -151.06 168.17 25.44 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.745 2.018 . . . . 0.0 110.426 172.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -51.45 -52.46 46.24 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.263 1.425 . . . . 0.0 112.541 -178.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.1 m -63.36 -33.67 76.05 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.163 0.985 . . . . 0.0 112.113 -176.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.9 m -72.09 -41.0 67.81 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.21 1.004 . . . . 0.0 111.314 174.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 m -62.4 -37.64 86.56 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.494 -0.754 . . . . 0.0 112.732 170.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.5 mmm -68.89 -39.38 79.8 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.152 -0.967 . . . . 0.0 111.807 175.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.2 tt -66.08 -39.02 89.7 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.352 1.061 . . . . 0.0 111.071 174.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.47 -39.78 94.15 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 124.697 1.141 . . . . 0.0 112.336 175.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.8 m -69.43 -40.0 77.51 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.068 0.947 . . . . 0.0 111.206 175.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 tt -59.44 -42.93 93.06 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.34 1.056 . . . . 0.0 111.696 170.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.6 m -67.68 -37.83 82.87 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.222 1.009 . . . . 0.0 111.142 177.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -65.61 -40.81 93.05 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.41 1.084 . . . . 0.0 111.164 174.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -67.18 -41.7 85.49 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.952 1.301 . . . . 0.0 110.639 177.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.9 m-30 -61.19 -39.26 89.51 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.121 0.968 . . . . 0.0 113.302 170.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -59.61 -46.51 88.76 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.343 1.057 . . . . 0.0 110.857 171.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.96 -43.58 98.41 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.434 1.493 . . . . 0.0 112.059 -179.264 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -62.96 -37.1 85.76 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.401 1.481 . . . . 0.0 112.958 170.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -66.1 -41.03 91.19 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.051 0.941 . . . . 0.0 111.627 179.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.7 t -81.11 -19.6 43.24 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.35 0.871 . . . . 0.0 113.35 177.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -156.42 109.21 2.04 Favored Pre-proline 0 CA--C 1.557 1.222 0 CA-C-N 119.617 1.099 . . . . 0.0 111.008 -179.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -65.93 -25.51 52.24 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 123.617 2.878 . . . . 0.0 117.486 -160.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -95.01 -2.74 49.7 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.598 1.559 . . . . 0.0 113.419 172.152 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.9 t 44.61 -9.4 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.003 1 C-N-CA 133.402 4.681 . . . . 0.0 121.717 176.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.4 p-10 -40.88 -43.57 2.09 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 117.111 2.263 . . . . 0.0 117.111 -168.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.6 m -163.39 111.66 1.23 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 126.128 1.771 . . . . 0.0 109.241 164.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 172.13 61.36 0.04 OUTLIER Glycine 0 CA--C 1.528 0.859 0 C-N-CA 124.967 1.27 . . . . 0.0 113.442 175.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.0 p -58.83 -15.35 6.13 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 C-N-CA 126.374 1.87 . . . . 0.0 115.596 -172.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -150.18 23.5 1.11 Allowed Glycine 0 CA--C 1.532 1.114 0 O-C-N 120.935 -1.103 . . . . 0.0 115.104 176.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 88.8 m -154.09 133.68 7.52 Favored Pre-proline 0 N--CA 1.48 1.049 0 CA-C-N 118.722 1.261 . . . . 0.0 110.35 -179.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -75.86 43.48 1.12 Allowed 'Trans proline' 0 CA--C 1.549 1.274 0 C-N-CA 124.856 3.704 . . . . 0.0 113.205 176.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.394 0 O-C-N 119.273 -2.142 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 33.9 t . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.635 0.255 . . . . 0.0 110.56 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -174.82 -24.75 0.03 OUTLIER Glycine 0 CA--C 1.539 1.558 0 C-N-CA 125.651 1.595 . . . . 0.0 114.058 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -150.97 168.24 25.17 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.687 1.995 . . . . 0.0 110.449 172.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -51.55 -52.37 47.68 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.309 1.444 . . . . 0.0 112.502 -178.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.2 m -63.49 -33.61 75.95 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.093 0.957 . . . . 0.0 112.148 -176.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 95.0 m -72.08 -40.89 67.95 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.231 1.013 . . . . 0.0 111.301 174.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.3 m -62.37 -37.56 86.18 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.483 -0.761 . . . . 0.0 112.664 170.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.2 mmm -68.95 -39.1 79.71 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.057 -1.027 . . . . 0.0 111.82 175.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tt -66.29 -39.18 89.21 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.437 1.095 . . . . 0.0 111.098 174.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.5 -39.22 93.94 Favored Glycine 0 CA--C 1.53 0.977 0 C-N-CA 124.692 1.139 . . . . 0.0 112.253 175.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.6 m -68.19 -42.6 79.68 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.949 0.9 . . . . 0.0 110.836 174.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 tt -58.21 -42.89 87.2 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.369 1.068 . . . . 0.0 111.867 171.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.7 m -68.27 -38.18 81.48 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.506 1.122 . . . . 0.0 111.346 177.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.3 tp60 -64.69 -36.27 83.73 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.595 1.158 . . . . 0.0 110.887 173.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.87 -38.77 61.84 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.697 0.799 . . . . 0.0 111.999 177.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.9 m-30 -60.24 -36.85 78.68 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.89 0.876 . . . . 0.0 112.488 167.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -63.72 -51.27 65.72 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.99 0.916 . . . . 0.0 110.047 171.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -54.63 -44.08 72.87 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.765 1.226 . . . . 0.0 112.52 178.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -65.47 -36.34 83.59 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.671 1.188 . . . . 0.0 113.38 170.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -69.82 -43.1 72.72 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 120.95 -1.094 . . . . 0.0 112.276 -176.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.2 t -82.96 -18.24 40.66 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 177.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -147.36 98.05 4.01 Favored Pre-proline 0 CA--C 1.553 1.095 0 O-C-N 121.363 -0.836 . . . . 0.0 112.941 171.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -72.79 -36.01 5.15 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 123.367 2.711 . . . . 0.0 115.404 -163.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -86.54 -10.5 53.89 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -175.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.1 m -154.14 105.0 2.67 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 125.566 1.547 . . . . 0.0 109.259 -178.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -70.27 61.19 0.21 Allowed 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.143 1.777 . . . . 0.0 113.792 -179.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.4 t -146.89 -1.89 0.65 Allowed 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 126.126 1.771 . . . . 0.0 113.458 -178.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -109.48 58.62 0.38 Allowed Glycine 0 N--CA 1.464 0.521 0 C-N-CA 126.396 1.951 . . . . 0.0 111.92 -163.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.4 m -45.81 -13.11 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 129.426 3.09 . . . . 0.0 116.702 177.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -141.12 41.06 1.29 Allowed Glycine 0 CA--C 1.538 1.523 0 C-N-CA 125.864 1.697 . . . . 0.0 114.646 175.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.1 m 40.38 74.98 0.64 Allowed Pre-proline 0 N--CA 1.486 1.328 0 C-N-CA 127.639 2.376 . . . . 0.0 114.735 -177.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.4 -19.9 24.01 Favored 'Trans proline' 0 CA--C 1.544 1.004 0 C-N-CA 124.359 3.373 . . . . 0.0 116.009 174.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 O-C-N 120.248 -1.533 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 34.1 t . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.619 0.247 . . . . 0.0 110.616 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -173.88 -24.41 0.02 OUTLIER Glycine 0 CA--C 1.539 1.541 0 C-N-CA 125.568 1.556 . . . . 0.0 114.123 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -150.77 168.15 25.27 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.649 1.979 . . . . 0.0 110.359 172.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -51.62 -52.41 47.9 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.258 1.423 . . . . 0.0 112.423 -178.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.5 m -63.58 -33.47 75.67 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.123 0.969 . . . . 0.0 112.203 -176.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.8 m -71.92 -40.73 68.59 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.182 0.993 . . . . 0.0 111.305 174.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.5 m -62.53 -36.86 83.93 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.51 -0.744 . . . . 0.0 112.724 169.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 36.1 mmt -69.39 -38.61 78.07 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.603 1.092 . . . . 0.0 111.94 175.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tt -65.93 -38.89 89.84 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.326 1.05 . . . . 0.0 111.173 173.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.36 -39.82 94.37 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 124.727 1.156 . . . . 0.0 112.191 174.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.4 m -67.84 -41.93 82.19 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.02 0.928 . . . . 0.0 110.897 175.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 tt -58.9 -42.87 90.62 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.44 1.096 . . . . 0.0 112.002 171.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.5 m -68.23 -38.49 81.92 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.101 0.961 . . . . 0.0 111.221 177.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -66.44 -37.49 85.27 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.894 1.278 . . . . 0.0 111.067 175.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -70.47 -40.66 73.52 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.441 1.496 . . . . 0.0 111.095 176.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.8 m-30 -61.0 -39.12 88.48 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.47 -0.769 . . . . 0.0 112.768 169.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -64.61 -44.1 91.65 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.169 1.387 . . . . 0.0 111.617 174.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -57.09 -56.72 18.08 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.848 1.259 . . . . 0.0 111.115 172.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -55.5 -33.82 64.07 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.13 1.372 . . . . 0.0 113.105 176.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -68.3 -41.84 80.33 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 124.221 1.008 . . . . 0.0 112.451 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 t -83.61 -22.1 32.34 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 112.818 0.674 . . . . 0.0 112.818 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -174.33 154.57 2.08 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 126.574 1.95 . . . . 0.0 112.091 168.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -70.14 -42.86 2.68 Favored 'Trans proline' 0 CA--C 1.542 0.887 0 C-N-CA 121.906 1.737 . . . . 0.0 113.187 174.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -87.91 -13.27 42.37 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 -172.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.8 t -67.3 -6.83 20.31 Favored 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 178.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -55.22 -16.74 3.5 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.499 1.52 . . . . 0.0 114.867 176.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.1 t -64.43 -14.02 54.52 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 168.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -146.84 -95.86 0.17 Allowed Glycine 0 CA--C 1.531 1.093 0 C-N-CA 125.546 1.546 . . . . 0.0 113.279 -178.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.7 p -156.48 -48.84 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 -172.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -176.74 63.93 0.09 OUTLIER Glycine 0 N--CA 1.467 0.726 0 O-C-N 121.594 -0.691 . . . . 0.0 113.169 -164.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 17.3 p -56.85 -30.07 7.19 Favored Pre-proline 0 N--CA 1.476 0.845 0 N-CA-C 117.35 2.352 . . . . 0.0 117.35 -176.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -82.18 -4.04 11.72 Favored 'Trans proline' 0 CA--C 1.545 1.058 0 CA-C-N 123.554 2.305 . . . . 0.0 113.542 177.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 O-C-N 119.97 -1.706 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 33.8 t . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.632 0.253 . . . . 0.0 110.62 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -174.6 -24.52 0.03 OUTLIER Glycine 0 CA--C 1.54 1.594 0 C-N-CA 125.65 1.595 . . . . 0.0 114.025 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -151.0 168.13 25.52 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 126.679 1.991 . . . . 0.0 110.458 172.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -51.48 -52.39 47.03 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.288 1.435 . . . . 0.0 112.568 -178.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.0 m -63.38 -33.66 76.03 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.154 0.982 . . . . 0.0 112.194 -176.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.9 m -72.01 -41.04 68.05 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.262 1.025 . . . . 0.0 111.355 174.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 m -62.26 -37.65 86.28 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.572 -0.705 . . . . 0.0 112.762 170.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.4 mmm -68.66 -39.18 80.75 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.146 -0.971 . . . . 0.0 111.927 175.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tt -66.23 -38.95 89.14 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.346 1.059 . . . . 0.0 111.082 174.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.23 -39.57 94.49 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 124.634 1.111 . . . . 0.0 112.357 174.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.3 m -68.25 -41.02 81.74 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.036 0.934 . . . . 0.0 111.035 174.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 tt -60.34 -41.63 93.99 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.478 1.111 . . . . 0.0 112.04 171.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.5 m -68.88 -38.57 79.75 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.002 0.921 . . . . 0.0 110.988 177.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.5 tp60 -65.26 -35.57 81.45 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.993 1.317 . . . . 0.0 111.546 173.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -70.96 -42.05 70.28 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.673 1.189 . . . . 0.0 110.967 176.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.8 m-30 -63.98 -37.7 88.37 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 170.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -60.9 -45.39 94.81 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.765 1.226 . . . . 0.0 110.84 172.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -54.73 -55.41 30.15 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.177 0.991 . . . . 0.0 111.673 172.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -71.52 -18.58 62.26 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.793 1.034 . . . . 0.0 113.793 -176.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -70.67 -43.76 68.46 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.525 1.13 . . . . 0.0 112.099 170.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.6 t -80.03 -24.67 40.59 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -177.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -163.44 151.27 11.19 Favored Pre-proline 0 CA--C 1.552 1.031 0 C-N-CA 124.229 1.012 . . . . 0.0 113.463 -173.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -80.2 -40.11 0.23 Allowed 'Trans proline' 0 CA--C 1.546 1.075 0 C-N-CA 123.335 2.69 . . . . 0.0 114.138 170.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -84.39 5.24 27.89 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 125.445 1.498 . . . . 0.0 113.719 178.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.4 t -39.48 -30.35 0.07 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 130.557 3.543 . . . . 0.0 117.589 -171.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -58.72 -14.34 8.31 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.728 1.211 . . . . 0.0 113.902 175.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.4 t -59.04 -17.74 28.29 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 166.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -168.43 -90.0 0.08 OUTLIER Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.745 1.641 . . . . 0.0 113.13 171.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.7 p -165.13 -28.52 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 C-N-CA 125.123 1.369 . . . . 0.0 114.335 -175.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -167.37 47.01 0.25 Allowed Glycine 0 N--CA 1.47 0.933 0 C-N-CA 125.588 1.565 . . . . 0.0 109.904 -169.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.9 p -148.47 122.19 4.74 Favored Pre-proline 0 N--CA 1.469 0.485 0 C-N-CA 124.964 1.306 . . . . 0.0 110.356 -145.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -71.78 -18.52 28.38 Favored 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 123.245 2.63 . . . . 0.0 114.268 -174.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 O-C-N 120.267 -1.521 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 5.1 t . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 161.1 -32.84 0.37 Allowed Glycine 0 N--CA 1.481 1.694 0 C-N-CA 124.255 0.931 . . . . 0.0 113.928 177.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.468 ' H ' ' HB ' ' A' ' 6' ' ' THR . 26.0 m-80 -137.8 172.22 13.27 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 128.531 2.732 . . . . 0.0 107.234 166.231 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.08 -54.17 49.75 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.873 0.761 . . . . 0.0 111.511 177.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.1 p -58.25 -40.36 81.56 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 126.462 1.905 . . . . 0.0 112.995 177.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.468 ' HB ' ' H ' ' A' ' 3' ' ' ASN . 23.9 m -66.21 -40.13 90.11 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.5 1.12 . . . . 0.0 111.019 176.176 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.93 -39.88 94.18 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.303 1.041 . . . . 0.0 112.256 173.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 92.1 mmm -68.0 -38.59 82.82 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.466 -0.771 . . . . 0.0 111.946 175.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.4 tt -66.52 -39.04 88.42 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.629 1.172 . . . . 0.0 111.129 174.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.39 -39.96 94.35 Favored Glycine 0 CA--C 1.528 0.879 0 C-N-CA 124.462 1.029 . . . . 0.0 112.31 174.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.3 m -68.33 -40.03 81.73 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.243 1.017 . . . . 0.0 110.994 175.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.1 tt -60.3 -44.05 95.73 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.078 0.951 . . . . 0.0 111.526 170.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.8 m -66.87 -38.12 85.72 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.224 -0.922 . . . . 0.0 111.012 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -63.24 -35.44 80.34 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.325 1.45 . . . . 0.0 111.28 172.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -72.18 -39.29 68.77 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.603 1.161 . . . . 0.0 111.93 177.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -66.88 -36.55 82.56 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 121.22 -0.925 . . . . 0.0 113.328 169.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -58.71 -45.66 89.05 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.687 1.195 . . . . 0.0 110.87 172.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -54.23 -61.31 2.39 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.684 1.193 . . . . 0.0 110.97 171.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -68.29 -17.75 64.36 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 -175.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -72.65 -50.2 26.68 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.245 1.418 . . . . 0.0 112.162 170.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.2 t -76.01 -21.35 56.97 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -174.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -165.78 139.92 3.76 Favored Pre-proline 0 CA--C 1.547 0.828 0 C-N-CA 125.797 1.639 . . . . 0.0 110.426 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -66.78 -25.64 45.8 Favored 'Trans proline' 0 CA--C 1.543 0.949 0 C-N-CA 122.438 2.092 . . . . 0.0 114.252 173.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -114.73 -0.53 13.53 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 -169.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.1 t -67.82 2.26 2.08 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 115.027 1.492 . . . . 0.0 115.027 -178.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -50.96 -19.79 1.14 Allowed 'General case' 0 CA--C 1.554 1.115 0 O-C-N 120.528 -1.357 . . . . 0.0 113.683 165.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.7 t -65.52 -15.97 63.21 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 115.552 1.686 . . . . 0.0 115.552 168.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -154.07 -99.8 0.18 Allowed Glycine 0 CA--C 1.535 1.305 0 C-N-CA 126.476 1.988 . . . . 0.0 112.155 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.5 p -162.37 -38.01 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 N-CA-C 115.249 1.574 . . . . 0.0 115.249 -177.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -158.51 48.88 0.42 Allowed Glycine 0 N--CA 1.47 0.93 0 C-N-CA 125.01 1.29 . . . . 0.0 110.324 -173.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.4 p -148.72 142.55 16.3 Favored Pre-proline 0 CA--C 1.537 0.472 0 C-N-CA 125.166 1.386 . . . . 0.0 111.551 -147.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -69.59 -30.99 22.16 Favored 'Trans proline' 0 CA--C 1.542 0.875 0 C-N-CA 122.296 1.998 . . . . 0.0 113.078 -176.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 O-C-N 120.4 -1.437 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 32.9 t . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.569 0.223 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -174.94 -25.53 0.03 OUTLIER Glycine 0 CA--C 1.539 1.556 0 C-N-CA 125.566 1.555 . . . . 0.0 113.966 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -150.35 168.1 25.09 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.718 2.007 . . . . 0.0 110.462 171.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -51.57 -51.83 52.2 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.47 1.508 . . . . 0.0 112.539 -177.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.6 m -64.37 -33.12 75.12 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.446 1.098 . . . . 0.0 112.383 -177.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 96.1 m -71.92 -40.21 68.94 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.058 0.943 . . . . 0.0 111.274 174.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.6 m -62.17 -36.98 83.53 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.575 -0.703 . . . . 0.0 112.762 169.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.2 mmt -68.15 -40.33 82.43 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.448 1.022 . . . . 0.0 111.855 174.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tt -66.13 -39.02 89.55 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.423 1.089 . . . . 0.0 111.091 175.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.46 -39.71 94.16 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 124.745 1.164 . . . . 0.0 112.148 175.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.0 m -68.08 -42.28 80.62 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.053 0.941 . . . . 0.0 110.967 175.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 tt -58.41 -43.4 88.6 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.518 1.127 . . . . 0.0 111.87 171.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.7 m -68.03 -38.31 82.37 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.318 1.047 . . . . 0.0 111.252 177.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.6 tp60 -66.5 -36.83 83.7 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.71 1.204 . . . . 0.0 111.296 175.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.06 -46.14 75.27 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.018 1.327 . . . . 0.0 110.426 173.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.9 m-30 -59.42 -39.01 82.14 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.57 -0.706 . . . . 0.0 112.809 173.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -63.7 -45.73 88.7 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.371 1.469 . . . . 0.0 111.251 174.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -58.83 -56.42 22.4 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.392 1.077 . . . . 0.0 111.605 174.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -57.78 -31.45 66.55 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.227 1.011 . . . . 0.0 112.679 177.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -69.23 -47.58 64.32 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.43 1.092 . . . . 0.0 112.35 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.8 t -75.29 -27.48 59.37 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -166.58 125.48 1.1 Allowed Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 126.04 1.736 . . . . 0.0 110.686 177.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -62.05 -27.37 79.17 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 122.587 2.191 . . . . 0.0 114.348 -177.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -100.76 -4.45 28.07 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.606 1.562 . . . . 0.0 114.862 -176.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 t -79.11 -1.86 37.94 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -177.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -56.26 -18.15 9.65 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 116.021 1.86 . . . . 0.0 116.021 -167.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.1 t -77.85 -7.43 56.66 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 115.08 1.511 . . . . 0.0 115.08 171.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -131.87 -99.49 0.77 Allowed Glycine 0 CA--C 1.533 1.217 0 C-N-CA 126.246 1.879 . . . . 0.0 112.807 -172.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.9 p -166.48 -44.0 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 -176.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 178.66 59.62 0.07 OUTLIER Glycine 0 N--CA 1.47 0.956 0 CA-C-N 119.038 0.835 . . . . 0.0 113.273 -164.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.0 t -151.83 146.98 19.22 Favored Pre-proline 0 N--CA 1.476 0.836 0 C-N-CA 125.06 1.344 . . . . 0.0 111.812 -170.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -62.96 -24.44 74.06 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.5 2.134 . . . . 0.0 113.065 172.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.269 0 O-C-N 120.37 -1.456 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.409 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -58.24 -38.08 88.91 Favored Glycine 0 CA--C 1.538 1.508 0 O-C-N 121.405 -0.809 . . . . 0.0 114.289 177.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -162.13 171.65 17.1 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.801 2.04 . . . . 0.0 110.602 174.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 tt -53.66 -51.66 62.44 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.802 1.641 . . . . 0.0 112.296 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.7 m -63.74 -30.78 71.84 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.058 0.943 . . . . 0.0 112.549 -178.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 89.1 m -72.28 -39.75 68.09 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.535 1.134 . . . . 0.0 111.257 173.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 83.1 m -59.35 -39.0 81.81 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 166.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 92.6 mmm -68.56 -38.05 80.44 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 119.504 1.047 . . . . 0.0 112.011 176.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.4 tt -66.5 -39.24 88.61 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.42 1.088 . . . . 0.0 111.035 174.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.23 -39.21 94.36 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 124.736 1.16 . . . . 0.0 112.286 174.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.5 m -69.65 -40.44 76.47 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.006 0.922 . . . . 0.0 111.087 175.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 tt -59.13 -42.64 91.12 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.464 1.106 . . . . 0.0 111.815 170.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.5 m -67.67 -37.79 82.84 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.2 1.0 . . . . 0.0 111.036 177.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -66.36 -39.74 89.32 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.64 1.176 . . . . 0.0 111.423 174.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -67.45 -41.4 84.76 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.607 1.563 . . . . 0.0 110.252 177.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.4 m-30 -63.13 -38.6 91.81 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.396 -0.815 . . . . 0.0 112.995 170.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -61.68 -45.32 94.51 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.839 1.255 . . . . 0.0 111.309 172.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -55.31 -53.29 58.01 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.422 1.489 . . . . 0.0 111.881 173.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -68.65 -23.14 64.38 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 177.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -69.79 -44.14 70.67 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.763 0.825 . . . . 0.0 111.785 171.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.5 t -81.4 -21.24 39.11 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -148.69 101.34 3.47 Favored Pre-proline 0 CA--C 1.547 0.834 0 C-N-CA 124.891 1.276 . . . . 0.0 112.182 173.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -74.93 -30.18 7.56 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 124.243 3.296 . . . . 0.0 114.615 -168.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -83.71 -8.08 59.34 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.258 1.423 . . . . 0.0 114.41 -170.365 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.7 m 149.92 129.14 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.346 1 C-N-CA 132.088 4.155 . . . . 0.0 108.835 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -139.08 142.58 38.14 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.919 1.288 . . . . 0.0 109.754 167.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.9 t -127.41 -3.07 6.18 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 114.856 1.428 . . . . 0.0 114.856 -168.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -138.34 -82.46 0.1 OUTLIER Glycine 0 CA--C 1.528 0.9 0 C-N-CA 124.327 0.965 . . . . 0.0 113.472 -175.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.9 t -143.29 -64.97 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 125.371 1.469 . . . . 0.0 109.085 178.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -124.28 52.14 0.8 Allowed Glycine 0 N--CA 1.47 0.906 0 C-N-CA 127.28 2.371 . . . . 0.0 109.273 175.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.3 m -132.47 81.74 59.18 Favored Pre-proline 0 N--CA 1.475 0.797 0 C-N-CA 124.493 1.117 . . . . 0.0 110.196 -149.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -68.49 149.23 74.37 Favored 'Trans proline' 0 CA--C 1.537 0.639 0 C-N-CA 122.872 2.381 . . . . 0.0 112.945 -168.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 O-C-N 120.847 -1.158 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 51.7 t . . . . . 0 N--CA 1.485 1.285 0 N-CA-C 110.834 -0.062 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -143.01 7.97 2.16 Favored Glycine 0 CA--C 1.539 1.584 0 C-N-CA 124.464 1.03 . . . . 0.0 115.004 172.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -160.83 160.3 30.95 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.891 1.676 . . . . 0.0 111.141 -175.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.9 tt -56.87 -54.09 50.46 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.56 1.144 . . . . 0.0 112.223 -173.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.4 m -64.36 -32.99 74.82 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.96 0.904 . . . . 0.0 111.872 -172.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 53.1 m -72.53 -42.82 64.32 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.663 0.785 . . . . 0.0 111.195 174.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.7 m -63.59 -34.65 78.29 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 171.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.2 mmt -68.65 -39.46 80.68 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 120.016 1.28 . . . . 0.0 111.773 173.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.2 tt -66.02 -38.94 89.7 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.192 0.997 . . . . 0.0 111.1 174.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.55 -39.64 93.98 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 124.823 1.202 . . . . 0.0 112.217 175.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.4 m -67.98 -42.31 81.0 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.82 0.848 . . . . 0.0 110.946 174.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 tt -58.6 -43.46 89.54 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.362 1.065 . . . . 0.0 111.881 171.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 91.8 m -67.76 -37.8 82.59 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.543 1.137 . . . . 0.0 111.291 178.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.9 tp60 -64.58 -39.32 93.52 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.634 1.174 . . . . 0.0 110.606 173.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.41 -37.29 68.7 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.321 -0.862 . . . . 0.0 111.522 178.279 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 -61.34 -39.01 88.98 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.331 -0.856 . . . . 0.0 112.834 168.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.18 -46.32 89.46 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.531 1.132 . . . . 0.0 110.874 173.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -59.26 -49.52 77.51 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 125.05 1.34 . . . . 0.0 111.682 177.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -61.23 -33.15 73.03 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 172.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -70.2 -44.26 69.03 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.265 1.026 . . . . 0.0 112.252 -176.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.5 t -71.14 -29.62 65.46 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 111.586 0.217 . . . . 0.0 111.586 -178.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -165.18 127.33 1.49 Allowed Pre-proline 0 CA--C 1.547 0.841 0 C-N-CA 126.549 1.94 . . . . 0.0 109.807 172.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -64.22 -31.84 63.35 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 122.133 1.889 . . . . 0.0 113.65 -177.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -89.27 -10.26 47.55 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.323 1.449 . . . . 0.0 114.485 -178.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -80.03 -6.08 56.96 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 -177.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -58.89 -17.84 27.77 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 -168.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.6 t -70.13 -10.88 60.19 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 169.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -130.88 -100.28 0.85 Allowed Glycine 0 CA--C 1.532 1.106 0 C-N-CA 127.184 2.326 . . . . 0.0 111.007 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.6 p -160.65 -43.82 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 N-CA-C 116.134 1.902 . . . . 0.0 116.134 175.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -173.9 62.9 0.12 Allowed Glycine 0 N--CA 1.472 1.036 0 CA-C-N 119.514 1.052 . . . . 0.0 114.098 -161.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.0 t -154.28 147.68 18.38 Favored Pre-proline 0 N--CA 1.478 0.937 0 C-N-CA 125.113 1.365 . . . . 0.0 111.75 -174.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -62.85 -25.72 74.54 Favored 'Trans proline' 0 CA--C 1.543 0.955 0 C-N-CA 122.121 1.881 . . . . 0.0 112.769 172.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.253 0 O-C-N 120.343 -1.473 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 33.7 t . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.66 0.267 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -174.66 -24.61 0.03 OUTLIER Glycine 0 CA--C 1.539 1.579 0 C-N-CA 125.726 1.631 . . . . 0.0 114.152 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -150.99 168.18 25.34 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.68 1.992 . . . . 0.0 110.454 172.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -51.48 -52.39 47.03 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.318 1.447 . . . . 0.0 112.532 -178.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.1 m -63.5 -33.58 75.89 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.144 0.978 . . . . 0.0 112.168 -176.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 95.1 m -72.1 -40.9 67.85 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.209 1.004 . . . . 0.0 111.377 174.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 m -62.31 -37.62 86.26 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.531 -0.73 . . . . 0.0 112.714 170.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.4 mmm -68.84 -38.89 80.12 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.324 0.966 . . . . 0.0 111.875 175.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.2 tt -66.4 -38.81 88.32 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.313 1.045 . . . . 0.0 111.144 174.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.66 -40.0 93.9 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 124.664 1.126 . . . . 0.0 112.304 175.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.6 m -68.6 -39.55 80.82 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.073 0.949 . . . . 0.0 111.099 175.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.2 tt -61.23 -42.97 99.54 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.949 0.9 . . . . 0.0 111.781 170.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 91.1 m -66.81 -38.08 85.77 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.005 -1.059 . . . . 0.0 110.666 178.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -65.47 -36.92 85.33 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.832 1.253 . . . . 0.0 111.411 172.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -65.6 -43.18 90.43 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.835 1.254 . . . . 0.0 110.386 175.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -65.42 -40.14 92.98 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 172.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -55.09 -47.1 75.39 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.679 1.192 . . . . 0.0 110.505 170.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 tmmm? -66.2 -48.12 71.65 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 125.831 1.652 . . . . 0.0 112.017 -175.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -64.76 -19.1 65.62 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.638 1.175 . . . . 0.0 113.444 173.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -83.29 -46.87 12.13 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.15 0.98 . . . . 0.0 113.103 173.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.7 t -85.72 -14.81 44.23 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -172.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.402 ' CD2' ' HD2' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -153.57 171.11 7.29 Favored Pre-proline 0 CA--C 1.55 0.973 0 C-N-CA 126.612 1.965 . . . . 0.0 109.808 174.009 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.402 ' HD2' ' CD2' ' A' ' 22' ' ' PHE . 8.3 Cg_exo -61.54 -55.95 0.99 Allowed 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.077 1.851 . . . . 0.0 111.515 172.406 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -164.77 -40.51 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 115.29 1.589 . . . . 0.0 115.29 -177.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.5 m -46.16 -65.5 0.54 Allowed 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 117.189 2.292 . . . . 0.0 117.189 -138.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -78.6 68.5 4.6 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.905 1.282 . . . . 0.0 111.729 -178.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.4 t -40.19 -18.59 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 120.979 3.696 . . . . 0.0 120.979 -154.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.23 -48.09 60.66 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 125.031 1.3 . . . . 0.0 114.001 169.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.7 m -129.09 -19.07 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 126.547 1.939 . . . . 0.0 113.567 -175.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.5 -43.75 2.77 Favored Glycine 0 CA--C 1.523 0.547 0 C-N-CA 127.604 2.526 . . . . 0.0 111.209 173.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.0 p -65.45 144.32 98.93 Favored Pre-proline 0 N--CA 1.471 0.593 0 C-N-CA 126.066 1.746 . . . . 0.0 112.651 -176.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -80.05 -3.17 12.56 Favored 'Trans proline' 0 CA--C 1.545 1.061 0 C-N-CA 123.442 2.761 . . . . 0.0 114.547 -165.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 O-C-N 120.051 -1.656 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 N--CA 1.471 0.588 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.7 m -63.27 -33.67 76.02 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.126 0.97 . . . . 0.0 112.198 -176.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.5 m -72.02 -41.06 67.97 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.213 1.005 . . . . 0.0 111.366 174.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 m -62.36 -37.24 84.95 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.564 -0.71 . . . . 0.0 112.728 170.301 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.5 mmm -69.27 -39.82 78.16 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.381 0.992 . . . . 0.0 111.866 175.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.1 tt -65.74 -38.64 89.67 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.373 1.069 . . . . 0.0 111.155 174.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.36 -43.99 94.14 Favored Glycine 0 CA--C 1.525 0.704 0 C-N-CA 124.556 1.074 . . . . 0.0 111.736 174.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.4 m -65.73 -39.89 91.61 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.793 0.837 . . . . 0.0 110.939 176.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 tt -59.62 -40.12 86.52 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.324 1.049 . . . . 0.0 112.152 170.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 84.9 m -69.84 -38.54 76.54 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.934 0.893 . . . . 0.0 111.187 178.111 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -64.55 -38.03 89.59 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.634 1.173 . . . . 0.0 111.994 172.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -68.26 -42.16 80.03 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 124.499 1.119 . . . . 0.0 110.926 178.363 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.5 m-30 -65.72 -38.39 89.05 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.641 0.777 . . . . 0.0 113.067 170.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -58.19 -47.49 83.27 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.909 1.231 . . . . 0.0 110.328 173.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -54.28 -59.66 4.38 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.466 1.107 . . . . 0.0 111.104 174.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 . . . . . 0 CA--C 1.535 0.391 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -173.306 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 N--CA 1.475 0.777 0 CA-C-O 120.939 0.4 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 m -66.0 -33.54 76.04 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.821 1.248 . . . . 0.0 112.24 -178.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 51.3 m -65.19 -40.8 94.7 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.404 0.682 . . . . 0.0 110.811 172.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 t -67.25 -39.06 86.09 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.925 -0.484 . . . . 0.0 112.123 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.3 mmm -66.6 -39.01 88.19 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.657 0.783 . . . . 0.0 111.955 174.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.4 tt -66.84 -39.37 87.61 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.397 1.079 . . . . 0.0 111.128 174.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.53 -39.15 95.42 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 124.502 1.048 . . . . 0.0 112.244 174.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.1 m -68.61 -41.33 79.69 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.207 1.003 . . . . 0.0 111.104 175.166 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 tt -60.41 -41.08 93.15 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.475 1.11 . . . . 0.0 112.046 171.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 86.6 m -69.36 -38.81 78.25 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.045 0.938 . . . . 0.0 110.958 177.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -64.84 -35.55 81.49 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.888 1.275 . . . . 0.0 111.448 172.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -71.09 -43.4 67.8 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.668 1.187 . . . . 0.0 111.003 177.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -62.07 -39.29 91.91 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.377 0.671 . . . . 0.0 112.796 170.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -61.62 -46.12 91.17 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.7 1.2 . . . . 0.0 110.857 174.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -55.34 -54.84 38.52 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.043 1.337 . . . . 0.0 111.558 174.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 . . . . . 0 CA--C 1.542 0.659 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 178.107 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 N--CA 1.469 0.525 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.3 m -63.5 -35.64 81.12 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.224 1.01 . . . . 0.0 112.046 -176.178 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 97.4 m -69.44 -41.22 76.57 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.917 0.887 . . . . 0.0 111.139 173.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.9 m -65.21 -36.52 84.43 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.589 -0.694 . . . . 0.0 112.054 175.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 35.1 mmt -69.18 -39.13 78.89 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.911 0.884 . . . . 0.0 111.872 174.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tt -65.65 -39.04 90.98 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.066 0.947 . . . . 0.0 111.043 173.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.67 -39.31 93.71 Favored Glycine 0 CA--C 1.53 1.021 0 C-N-CA 124.669 1.128 . . . . 0.0 112.331 174.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.9 m -66.94 -42.66 84.89 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.185 0.994 . . . . 0.0 110.759 174.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.423 HD21 ' CE2' ' A' ' 16' ' ' PHE . 3.7 tt -59.91 -42.23 93.44 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.603 1.161 . . . . 0.0 112.017 172.286 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.3 m -69.27 -39.43 78.4 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.183 0.993 . . . . 0.0 111.246 178.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -62.53 -38.33 89.55 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.664 1.586 . . . . 0.0 110.99 172.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -74.64 -37.7 62.69 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.035 0.934 . . . . 0.0 112.095 179.283 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.423 ' CE2' HD21 ' A' ' 12' ' ' LEU . 15.5 m-30 -63.09 -40.22 97.03 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.18 -0.95 . . . . 0.0 112.54 167.592 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -61.58 -44.75 96.45 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.329 1.452 . . . . 0.0 110.83 175.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -54.17 -57.99 9.04 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.677 1.591 . . . . 0.0 112.974 169.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 . . . . . 0 N--CA 1.47 0.549 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 -177.299 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.1 tt . . . . . 0 N--CA 1.469 0.522 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.8 m -63.4 -35.38 80.22 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.317 1.047 . . . . 0.0 111.895 -175.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 97.2 m -69.17 -41.08 77.69 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.06 0.944 . . . . 0.0 111.082 172.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.8 m -65.34 -37.91 88.51 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 118.733 0.697 . . . . 0.0 112.281 175.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.9 mmm -67.98 -39.51 83.27 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.355 -0.841 . . . . 0.0 111.941 174.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.2 tt -65.88 -38.97 90.2 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.034 0.934 . . . . 0.0 111.21 174.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.28 -43.2 95.6 Favored Glycine 0 CA--C 1.526 0.733 0 C-N-CA 124.711 1.148 . . . . 0.0 111.789 175.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.4 m -68.95 -38.51 79.48 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.724 1.21 . . . . 0.0 111.384 176.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.476 HD21 ' CE2' ' A' ' 16' ' ' PHE . 2.7 tt -57.27 -40.91 78.66 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.891 0.876 . . . . 0.0 111.443 168.31 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.2 m -69.44 -37.83 77.56 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.093 0.957 . . . . 0.0 111.513 177.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -63.82 -40.41 96.55 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.608 -0.682 . . . . 0.0 110.946 172.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -72.69 -35.3 67.62 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.448 0.699 . . . . 0.0 112.166 -178.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.476 ' CE2' HD21 ' A' ' 12' ' ' LEU . 12.8 m-30 -62.5 -37.13 84.82 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.303 1.041 . . . . 0.0 112.835 165.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -63.26 -48.58 77.57 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.08 0.855 . . . . 0.0 110.568 171.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -58.52 -40.31 82.55 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.792 1.637 . . . . 0.0 113.07 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 . . . . . 0 N--CA 1.472 0.666 0 C-N-CA 123.385 0.674 . . . . 0.0 112.797 168.911 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.3 tt . . . . . 0 N--CA 1.472 0.673 0 CA-C-O 121.306 0.574 . . . . 0.0 110.742 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.6 p -56.94 -36.42 70.23 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.84 1.656 . . . . 0.0 113.425 173.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.0 m -67.17 -41.63 85.64 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.192 0.997 . . . . 0.0 110.839 174.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 80.6 m -61.86 -38.98 90.28 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 170.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.4 mmm -68.17 -38.24 81.86 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.38 0.991 . . . . 0.0 112.016 176.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.4 tt -66.88 -39.44 87.5 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.609 1.164 . . . . 0.0 111.056 174.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.87 -40.07 95.33 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 124.602 1.096 . . . . 0.0 112.167 174.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.5 m -68.3 -40.46 81.73 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.249 1.019 . . . . 0.0 110.976 175.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.6 tt -60.08 -45.05 94.19 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.092 0.957 . . . . 0.0 111.545 171.214 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.1 m -66.55 -38.07 86.34 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.221 1.008 . . . . 0.0 111.088 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.5 tp60 -61.83 -39.27 91.23 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.913 1.285 . . . . 0.0 110.69 171.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -38.74 86.86 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.742 1.217 . . . . 0.0 111.734 176.445 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -66.88 -38.03 85.54 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 171.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -59.73 -44.76 93.63 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.428 1.091 . . . . 0.0 111.088 170.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -57.75 -54.29 48.61 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.114 1.366 . . . . 0.0 111.49 173.154 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 . . . . . 0 N--CA 1.473 0.686 0 C-N-CA 123.757 0.823 . . . . 0.0 112.292 177.39 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 N--CA 1.47 0.575 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.1 m -63.04 -35.68 81.04 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.186 0.994 . . . . 0.0 111.999 -176.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 98.8 m -69.84 -41.3 75.1 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.969 0.908 . . . . 0.0 111.214 173.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.3 m -64.97 -37.19 86.84 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.642 -0.661 . . . . 0.0 112.147 175.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 92.0 mmm -68.42 -39.42 81.58 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.797 0.839 . . . . 0.0 111.863 174.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.4 tt -65.89 -39.22 90.43 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.146 0.978 . . . . 0.0 111.143 174.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.5 -39.02 93.89 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.732 1.158 . . . . 0.0 112.335 175.048 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.6 m -68.71 -40.67 79.84 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.04 0.936 . . . . 0.0 111.04 174.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 tt -60.95 -41.27 95.99 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.417 1.087 . . . . 0.0 112.091 171.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.4 m -68.54 -39.15 81.24 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.073 0.949 . . . . 0.0 110.703 177.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -65.51 -36.45 83.87 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.875 1.27 . . . . 0.0 111.576 172.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -68.68 -43.09 76.85 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.598 1.159 . . . . 0.0 110.479 177.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -63.38 -42.51 98.85 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 171.207 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -56.26 -46.97 79.45 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.434 1.494 . . . . 0.0 110.719 173.487 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 tmmm? -62.95 -53.74 49.34 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 125.706 1.602 . . . . 0.0 110.722 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 . . . . . 0 CA--C 1.537 0.452 0 C-N-CA 123.622 0.769 . . . . 0.0 112.9 177.699 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.9 tt . . . . . 0 N--CA 1.469 0.497 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.1 m -63.64 -35.37 80.31 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.218 1.007 . . . . 0.0 111.94 -175.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 98.0 m -68.91 -40.8 78.89 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.952 0.901 . . . . 0.0 111.124 172.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.3 m -65.29 -37.75 88.11 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.571 -0.706 . . . . 0.0 112.3 175.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.9 mmt -67.25 -39.59 86.16 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.348 -0.845 . . . . 0.0 111.871 174.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.4 tt -66.44 -39.2 88.76 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.185 0.994 . . . . 0.0 111.126 175.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.95 -38.81 93.09 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 124.82 1.2 . . . . 0.0 112.312 175.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.1 m -68.77 -41.24 79.11 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.982 0.913 . . . . 0.0 111.013 174.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.422 HD21 ' CE2' ' A' ' 16' ' ' PHE . 3.9 tt -59.56 -42.59 92.74 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.435 1.094 . . . . 0.0 111.906 171.453 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.0 m -68.44 -38.65 81.35 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.271 1.028 . . . . 0.0 111.126 177.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -64.3 -37.36 87.21 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.392 1.077 . . . . 0.0 111.192 173.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -73.05 -38.43 66.5 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.937 0.895 . . . . 0.0 111.641 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.422 ' CE2' HD21 ' A' ' 12' ' ' LEU . 16.6 m-30 -62.14 -37.0 83.52 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.305 -0.872 . . . . 0.0 112.8 167.518 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -48.08 81.52 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 119.444 1.02 . . . . 0.0 110.704 172.436 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -56.74 -49.52 74.97 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.965 1.306 . . . . 0.0 111.878 177.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 . . . . . 0 CA--C 1.539 0.547 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 177.326 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 N--CA 1.469 0.49 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.3 m -63.24 -35.56 80.74 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.258 1.023 . . . . 0.0 111.959 -176.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 98.6 m -69.86 -41.28 75.03 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.021 0.928 . . . . 0.0 111.168 173.505 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.3 m -64.93 -37.17 86.75 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.561 -0.712 . . . . 0.0 112.15 175.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 92.1 mmm -68.62 -39.21 80.91 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.761 0.824 . . . . 0.0 111.861 174.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tt -66.0 -39.15 90.04 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.129 0.972 . . . . 0.0 111.045 174.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.54 -39.42 93.94 Favored Glycine 0 CA--C 1.53 0.995 0 C-N-CA 124.731 1.158 . . . . 0.0 112.301 175.041 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.2 m -68.6 -40.42 80.46 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.997 0.919 . . . . 0.0 110.981 175.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.8 tt -60.84 -42.93 98.76 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.155 0.982 . . . . 0.0 111.755 171.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.3 m -67.45 -39.06 85.35 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.25 -0.907 . . . . 0.0 110.719 178.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 50.7 tp60 -63.13 -34.99 78.81 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.847 1.259 . . . . 0.0 111.08 171.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -69.44 -44.31 71.53 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 124.545 1.138 . . . . 0.0 111.313 177.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -62.7 -38.48 90.57 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 171.188 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -64.76 -43.24 93.9 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.03 1.332 . . . . 0.0 111.547 175.095 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -55.64 -51.16 68.16 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.204 1.402 . . . . 0.0 111.819 171.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 . . . . . 0 N--CA 1.472 0.668 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 175.235 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 tm? . . . . . 0 N--CA 1.474 0.729 0 CA-C-O 120.83 0.348 . . . . 0.0 111.927 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.3 m -65.02 -33.15 75.36 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.52 1.128 . . . . 0.0 112.155 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.6 m -65.91 -41.36 91.54 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.958 0.903 . . . . 0.0 111.149 173.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -67.88 -37.3 81.6 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.367 1.067 . . . . 0.0 112.293 175.391 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.1 mmm -67.15 -39.35 86.51 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.503 -0.748 . . . . 0.0 111.873 173.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tt -66.54 -39.06 88.37 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.486 1.114 . . . . 0.0 111.136 174.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.07 -38.94 94.47 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 124.48 1.038 . . . . 0.0 112.374 174.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.1 m -68.64 -42.09 78.48 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.025 0.93 . . . . 0.0 110.819 174.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.45 HD21 ' CE2' ' A' ' 16' ' ' PHE . 3.2 tt -58.6 -42.14 87.45 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.358 1.063 . . . . 0.0 111.928 171.191 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.5 m -68.48 -38.53 81.1 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.407 1.083 . . . . 0.0 111.09 177.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.2 tp60 -64.58 -35.59 81.5 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.783 1.233 . . . . 0.0 111.124 173.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.458 ' HA ' ' HE3' ' A' ' 18' ' ' LYS . 2.8 t70 -73.06 -40.39 65.1 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.366 1.066 . . . . 0.0 111.808 177.394 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.45 ' CE2' HD21 ' A' ' 12' ' ' LEU . 15.8 m-30 -62.52 -36.06 81.38 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.491 1.116 . . . . 0.0 112.966 169.17 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -64.93 -47.7 76.76 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.346 1.058 . . . . 0.0 110.337 173.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.458 ' HE3' ' HA ' ' A' ' 15' ' ' ASP . 6.8 mtmt -60.52 -41.84 95.2 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.034 0.934 . . . . 0.0 112.759 175.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 . . . . . 0 N--CA 1.472 0.673 0 C-N-CA 123.268 0.627 . . . . 0.0 112.661 169.507 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 N--CA 1.466 0.362 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.9 m -64.95 -33.55 76.31 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.624 1.169 . . . . 0.0 112.313 -176.315 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 75.2 m -69.7 -41.81 74.9 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.095 0.958 . . . . 0.0 110.709 173.208 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.22 -35.12 77.94 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 169.339 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.9 mmt -68.97 -39.69 79.3 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.585 1.084 . . . . 0.0 111.732 174.123 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tt -65.82 -39.09 90.52 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.421 1.088 . . . . 0.0 111.006 174.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.55 -39.0 93.81 Favored Glycine 0 CA--C 1.529 0.937 0 C-N-CA 124.775 1.179 . . . . 0.0 112.35 175.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.0 m -68.93 -41.87 77.53 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.999 0.919 . . . . 0.0 110.972 174.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.436 HD21 ' CE2' ' A' ' 16' ' ' PHE . 3.6 tt -58.61 -42.64 88.62 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.455 1.102 . . . . 0.0 111.867 171.33 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.5 m -68.35 -38.46 81.49 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.368 1.067 . . . . 0.0 111.199 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -65.29 -34.86 79.35 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.446 1.098 . . . . 0.0 111.11 173.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -74.41 -39.51 62.59 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.827 0.851 . . . . 0.0 111.649 177.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.436 ' CE2' HD21 ' A' ' 12' ' ' LEU . 16.3 m-30 -60.65 -36.98 80.01 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.375 -0.828 . . . . 0.0 112.548 167.605 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -67.21 -45.17 77.62 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.772 1.229 . . . . 0.0 111.3 174.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -58.95 -41.75 88.2 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.607 1.563 . . . . 0.0 112.782 173.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 . . . . . 0 N--CA 1.472 0.628 0 C-N-CA 123.948 0.899 . . . . 0.0 112.031 169.067 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.8 tt . . . . . 0 N--CA 1.47 0.553 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.3 m -63.87 -30.66 71.73 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.095 0.958 . . . . 0.0 112.531 -178.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 87.7 m -72.34 -39.68 67.98 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.468 1.107 . . . . 0.0 111.264 173.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 83.2 m -59.51 -39.05 82.56 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 166.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.9 mmm -68.31 -38.49 81.66 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.53 1.059 . . . . 0.0 111.975 176.437 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.5 tt -66.38 -39.52 89.14 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.445 1.098 . . . . 0.0 111.062 174.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.36 -39.45 94.24 Favored Glycine 0 CA--C 1.53 0.991 0 C-N-CA 124.547 1.07 . . . . 0.0 112.371 175.087 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.6 m -68.93 -40.78 78.84 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.05 0.94 . . . . 0.0 111.056 175.408 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.1 tt -59.21 -44.91 92.26 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.089 0.956 . . . . 0.0 111.423 171.048 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 92.1 m -66.95 -38.12 85.54 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.408 1.083 . . . . 0.0 111.056 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.3 tp60 -62.99 -33.89 76.36 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.839 1.256 . . . . 0.0 110.893 171.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.52 -39.76 64.54 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.991 0.916 . . . . 0.0 112.634 176.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -62.97 -37.23 86.28 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.548 -0.72 . . . . 0.0 112.795 168.502 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -63.04 -46.26 88.41 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.329 1.052 . . . . 0.0 111.0 171.127 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -56.68 -45.9 81.45 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.996 1.718 . . . . 0.0 112.589 175.089 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 . . . . . 0 N--CA 1.473 0.675 0 C-N-CA 123.398 0.679 . . . . 0.0 112.629 171.122 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 N--CA 1.47 0.528 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.1 m -63.36 -33.67 76.05 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.163 0.985 . . . . 0.0 112.113 -176.338 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.9 m -72.09 -41.0 67.81 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.21 1.004 . . . . 0.0 111.314 174.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 m -62.4 -37.64 86.56 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.494 -0.754 . . . . 0.0 112.732 170.345 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.5 mmm -68.89 -39.38 79.8 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.152 -0.967 . . . . 0.0 111.807 175.571 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.2 tt -66.08 -39.02 89.7 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.352 1.061 . . . . 0.0 111.071 174.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.47 -39.78 94.15 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 124.697 1.141 . . . . 0.0 112.336 175.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.8 m -69.43 -40.0 77.51 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.068 0.947 . . . . 0.0 111.206 175.091 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.442 HD21 ' CE2' ' A' ' 16' ' ' PHE . 3.9 tt -59.44 -42.93 93.06 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.34 1.056 . . . . 0.0 111.696 170.588 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.6 m -67.68 -37.83 82.87 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.222 1.009 . . . . 0.0 111.142 177.355 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -65.61 -40.81 93.05 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.41 1.084 . . . . 0.0 111.164 174.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -67.18 -41.7 85.49 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.952 1.301 . . . . 0.0 110.639 177.15 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.442 ' CE2' HD21 ' A' ' 12' ' ' LEU . 13.9 m-30 -61.19 -39.26 89.51 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.121 0.968 . . . . 0.0 113.302 170.298 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -59.61 -46.51 88.76 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.343 1.057 . . . . 0.0 110.857 171.498 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.96 -43.58 98.41 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.434 1.493 . . . . 0.0 112.059 -179.264 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 . . . . . 0 N--CA 1.47 0.538 0 C-N-CA 125.401 1.481 . . . . 0.0 112.958 170.27 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 N--CA 1.47 0.542 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.2 m -63.49 -33.61 75.95 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.093 0.957 . . . . 0.0 112.148 -176.352 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 95.0 m -72.08 -40.89 67.95 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.231 1.013 . . . . 0.0 111.301 174.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.3 m -62.37 -37.56 86.18 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.483 -0.761 . . . . 0.0 112.664 170.186 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.2 mmm -68.95 -39.1 79.71 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.057 -1.027 . . . . 0.0 111.82 175.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tt -66.29 -39.18 89.21 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.437 1.095 . . . . 0.0 111.098 174.337 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.5 -39.22 93.94 Favored Glycine 0 CA--C 1.53 0.977 0 C-N-CA 124.692 1.139 . . . . 0.0 112.253 175.296 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.6 m -68.19 -42.6 79.68 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.949 0.9 . . . . 0.0 110.836 174.63 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.461 HD21 ' CE2' ' A' ' 16' ' ' PHE . 3.4 tt -58.21 -42.89 87.2 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.369 1.068 . . . . 0.0 111.867 171.815 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.7 m -68.27 -38.18 81.48 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.506 1.122 . . . . 0.0 111.346 177.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.3 tp60 -64.69 -36.27 83.73 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.595 1.158 . . . . 0.0 110.887 173.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.87 -38.77 61.84 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.697 0.799 . . . . 0.0 111.999 177.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.461 ' CE2' HD21 ' A' ' 12' ' ' LEU . 14.9 m-30 -60.24 -36.85 78.68 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.89 0.876 . . . . 0.0 112.488 167.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -63.72 -51.27 65.72 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.99 0.916 . . . . 0.0 110.047 171.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -54.63 -44.08 72.87 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.765 1.226 . . . . 0.0 112.52 178.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 . . . . . 0 N--CA 1.473 0.718 0 C-N-CA 124.671 1.188 . . . . 0.0 113.38 170.868 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 N--CA 1.47 0.545 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.5 m -63.58 -33.47 75.67 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.123 0.969 . . . . 0.0 112.203 -176.319 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.8 m -71.92 -40.73 68.59 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.182 0.993 . . . . 0.0 111.305 174.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.5 m -62.53 -36.86 83.93 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.51 -0.744 . . . . 0.0 112.724 169.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 36.1 mmt -69.39 -38.61 78.07 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.603 1.092 . . . . 0.0 111.94 175.17 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tt -65.93 -38.89 89.84 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.326 1.05 . . . . 0.0 111.173 173.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.36 -39.82 94.37 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 124.727 1.156 . . . . 0.0 112.191 174.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.4 m -67.84 -41.93 82.19 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.02 0.928 . . . . 0.0 110.897 175.061 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.433 HD21 ' CE2' ' A' ' 16' ' ' PHE . 4.2 tt -58.9 -42.87 90.62 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.44 1.096 . . . . 0.0 112.002 171.549 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.5 m -68.23 -38.49 81.92 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.101 0.961 . . . . 0.0 111.221 177.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -66.44 -37.49 85.27 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.894 1.278 . . . . 0.0 111.067 175.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -70.47 -40.66 73.52 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.441 1.496 . . . . 0.0 111.095 176.061 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.433 ' CE2' HD21 ' A' ' 12' ' ' LEU . 14.8 m-30 -61.0 -39.12 88.48 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.47 -0.769 . . . . 0.0 112.768 169.803 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -64.61 -44.1 91.65 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.169 1.387 . . . . 0.0 111.617 174.195 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -57.09 -56.72 18.08 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.848 1.259 . . . . 0.0 111.115 172.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 . . . . . 0 N--CA 1.475 0.786 0 C-N-CA 125.13 1.372 . . . . 0.0 113.105 176.253 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 N--CA 1.469 0.485 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.0 m -63.38 -33.66 76.03 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.154 0.982 . . . . 0.0 112.194 -176.387 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.9 m -72.01 -41.04 68.05 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.262 1.025 . . . . 0.0 111.355 174.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 m -62.26 -37.65 86.28 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.572 -0.705 . . . . 0.0 112.762 170.23 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.4 mmm -68.66 -39.18 80.75 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.146 -0.971 . . . . 0.0 111.927 175.368 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tt -66.23 -38.95 89.14 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.346 1.059 . . . . 0.0 111.082 174.431 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.23 -39.57 94.49 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 124.634 1.111 . . . . 0.0 112.357 174.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.3 m -68.25 -41.02 81.74 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.036 0.934 . . . . 0.0 111.035 174.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.4 HD21 ' CE2' ' A' ' 16' ' ' PHE . 3.5 tt -60.34 -41.63 93.99 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.478 1.111 . . . . 0.0 112.04 171.467 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.5 m -68.88 -38.57 79.75 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.002 0.921 . . . . 0.0 110.988 177.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.5 tp60 -65.26 -35.57 81.45 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.993 1.317 . . . . 0.0 111.546 173.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -70.96 -42.05 70.28 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.673 1.189 . . . . 0.0 110.967 176.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.4 ' CE2' HD21 ' A' ' 12' ' ' LEU . 16.8 m-30 -63.98 -37.7 88.37 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 170.788 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -60.9 -45.39 94.81 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.765 1.226 . . . . 0.0 110.84 172.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -54.73 -55.41 30.15 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.177 0.991 . . . . 0.0 111.673 172.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 . . . . . 0 CA--C 1.54 0.559 0 N-CA-C 113.793 1.034 . . . . 0.0 113.793 -176.853 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 N--CA 1.475 0.795 0 CA-C-O 121.242 0.544 . . . . 0.0 111.511 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.1 p -58.25 -40.36 81.56 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 126.462 1.905 . . . . 0.0 112.995 177.015 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.9 m -66.21 -40.13 90.11 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.5 1.12 . . . . 0.0 111.019 176.176 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.93 -39.88 94.18 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.303 1.041 . . . . 0.0 112.256 173.764 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 92.1 mmm -68.0 -38.59 82.82 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.466 -0.771 . . . . 0.0 111.946 175.297 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.4 tt -66.52 -39.04 88.42 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.629 1.172 . . . . 0.0 111.129 174.306 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.39 -39.96 94.35 Favored Glycine 0 CA--C 1.528 0.879 0 C-N-CA 124.462 1.029 . . . . 0.0 112.31 174.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.3 m -68.33 -40.03 81.73 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.243 1.017 . . . . 0.0 110.994 175.514 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.1 tt -60.3 -44.05 95.73 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.078 0.951 . . . . 0.0 111.526 170.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.8 m -66.87 -38.12 85.72 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.224 -0.922 . . . . 0.0 111.012 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -63.24 -35.44 80.34 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.325 1.45 . . . . 0.0 111.28 172.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -72.18 -39.29 68.77 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.603 1.161 . . . . 0.0 111.93 177.03 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -66.88 -36.55 82.56 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 121.22 -0.925 . . . . 0.0 113.328 169.469 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -58.71 -45.66 89.05 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.687 1.195 . . . . 0.0 110.87 172.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -54.23 -61.31 2.39 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.684 1.193 . . . . 0.0 110.97 171.497 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 . . . . . 0 CA--C 1.543 0.677 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 -175.321 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.3 tm? . . . . . 0 N--CA 1.469 0.511 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.6 m -64.37 -33.12 75.12 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.446 1.098 . . . . 0.0 112.383 -177.179 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 96.1 m -71.92 -40.21 68.94 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.058 0.943 . . . . 0.0 111.274 174.391 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.6 m -62.17 -36.98 83.53 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.575 -0.703 . . . . 0.0 112.762 169.448 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.2 mmt -68.15 -40.33 82.43 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.448 1.022 . . . . 0.0 111.855 174.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tt -66.13 -39.02 89.55 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.423 1.089 . . . . 0.0 111.091 175.093 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.46 -39.71 94.16 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 124.745 1.164 . . . . 0.0 112.148 175.301 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.0 m -68.08 -42.28 80.62 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.053 0.941 . . . . 0.0 110.967 175.044 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.427 HD21 ' CE2' ' A' ' 16' ' ' PHE . 4.0 tt -58.41 -43.4 88.6 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.518 1.127 . . . . 0.0 111.87 171.706 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.7 m -68.03 -38.31 82.37 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.318 1.047 . . . . 0.0 111.252 177.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.6 tp60 -66.5 -36.83 83.7 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.71 1.204 . . . . 0.0 111.296 175.22 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.06 -46.14 75.27 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.018 1.327 . . . . 0.0 110.426 173.509 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.427 ' CE2' HD21 ' A' ' 12' ' ' LEU . 14.9 m-30 -59.42 -39.01 82.14 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.57 -0.706 . . . . 0.0 112.809 173.456 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -63.7 -45.73 88.7 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.371 1.469 . . . . 0.0 111.251 174.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -58.83 -56.42 22.4 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.392 1.077 . . . . 0.0 111.605 174.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 . . . . . 0 N--CA 1.471 0.599 0 C-N-CA 124.227 1.011 . . . . 0.0 112.679 177.941 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 tt . . . . . 0 N--CA 1.47 0.57 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.7 m -63.74 -30.78 71.84 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.058 0.943 . . . . 0.0 112.549 -178.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 89.1 m -72.28 -39.75 68.09 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.535 1.134 . . . . 0.0 111.257 173.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 83.1 m -59.35 -39.0 81.81 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 166.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 92.6 mmm -68.56 -38.05 80.44 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 119.504 1.047 . . . . 0.0 112.011 176.445 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.4 tt -66.5 -39.24 88.61 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.42 1.088 . . . . 0.0 111.035 174.401 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.23 -39.21 94.36 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 124.736 1.16 . . . . 0.0 112.286 174.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.5 m -69.65 -40.44 76.47 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.006 0.922 . . . . 0.0 111.087 175.263 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.417 HD21 ' CE2' ' A' ' 16' ' ' PHE . 4.0 tt -59.13 -42.64 91.12 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.464 1.106 . . . . 0.0 111.815 170.655 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.5 m -67.67 -37.79 82.84 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.2 1.0 . . . . 0.0 111.036 177.05 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -66.36 -39.74 89.32 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.64 1.176 . . . . 0.0 111.423 174.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -67.45 -41.4 84.76 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.607 1.563 . . . . 0.0 110.252 177.044 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.417 ' CE2' HD21 ' A' ' 12' ' ' LEU . 15.4 m-30 -63.13 -38.6 91.81 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.396 -0.815 . . . . 0.0 112.995 170.472 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -61.68 -45.32 94.51 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.839 1.255 . . . . 0.0 111.309 172.431 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -55.31 -53.29 58.01 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.422 1.489 . . . . 0.0 111.881 173.21 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 . . . . . 0 CA--C 1.539 0.541 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 177.8 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.9 tt . . . . . 0 N--CA 1.467 0.384 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.4 m -64.36 -32.99 74.82 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.96 0.904 . . . . 0.0 111.872 -172.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 53.1 m -72.53 -42.82 64.32 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.663 0.785 . . . . 0.0 111.195 174.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.7 m -63.59 -34.65 78.29 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 171.213 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.2 mmt -68.65 -39.46 80.68 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 120.016 1.28 . . . . 0.0 111.773 173.333 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.2 tt -66.02 -38.94 89.7 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.192 0.997 . . . . 0.0 111.1 174.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.55 -39.64 93.98 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 124.823 1.202 . . . . 0.0 112.217 175.286 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.4 m -67.98 -42.31 81.0 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.82 0.848 . . . . 0.0 110.946 174.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.456 HD21 ' CE2' ' A' ' 16' ' ' PHE . 3.9 tt -58.6 -43.46 89.54 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.362 1.065 . . . . 0.0 111.881 171.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 91.8 m -67.76 -37.8 82.59 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.543 1.137 . . . . 0.0 111.291 178.119 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.9 tp60 -64.58 -39.32 93.52 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.634 1.174 . . . . 0.0 110.606 173.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.41 -37.29 68.7 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.321 -0.862 . . . . 0.0 111.522 178.279 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.456 ' CE2' HD21 ' A' ' 12' ' ' LEU . 14.4 m-30 -61.34 -39.01 88.98 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.331 -0.856 . . . . 0.0 112.834 168.338 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.18 -46.32 89.46 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.531 1.132 . . . . 0.0 110.874 173.799 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -59.26 -49.52 77.51 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 125.05 1.34 . . . . 0.0 111.682 177.283 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 . . . . . 0 N--CA 1.474 0.741 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 172.487 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 N--CA 1.47 0.54 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.1 m -63.5 -33.58 75.89 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.144 0.978 . . . . 0.0 112.168 -176.337 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 95.1 m -72.1 -40.9 67.85 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.209 1.004 . . . . 0.0 111.377 174.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 m -62.31 -37.62 86.26 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.531 -0.73 . . . . 0.0 112.714 170.218 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.4 mmm -68.84 -38.89 80.12 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.324 0.966 . . . . 0.0 111.875 175.437 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.2 tt -66.4 -38.81 88.32 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.313 1.045 . . . . 0.0 111.144 174.397 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.66 -40.0 93.9 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 124.664 1.126 . . . . 0.0 112.304 175.142 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.6 m -68.6 -39.55 80.82 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.073 0.949 . . . . 0.0 111.099 175.124 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.2 tt -61.23 -42.97 99.54 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.949 0.9 . . . . 0.0 111.781 170.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 91.1 m -66.81 -38.08 85.77 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.005 -1.059 . . . . 0.0 110.666 178.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -65.47 -36.92 85.33 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.832 1.253 . . . . 0.0 111.411 172.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -65.6 -43.18 90.43 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.835 1.254 . . . . 0.0 110.386 175.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -65.42 -40.14 92.98 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 172.265 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.09 -47.1 75.39 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.679 1.192 . . . . 0.0 110.505 170.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 tmmm? -66.2 -48.12 71.65 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 125.831 1.652 . . . . 0.0 112.017 -175.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 . . . . . 0 N--CA 1.473 0.714 0 C-N-CA 124.638 1.175 . . . . 0.0 113.444 173.4 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 33.6 t . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.567 0.222 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -175.39 -24.8 0.03 OUTLIER Glycine 0 CA--C 1.539 1.537 0 C-N-CA 125.687 1.613 . . . . 0.0 114.063 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -151.05 168.15 25.49 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.75 2.02 . . . . 0.0 110.462 172.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -51.5 -52.46 46.52 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.265 1.426 . . . . 0.0 112.464 -178.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.7 m -63.27 -33.67 76.02 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.126 0.97 . . . . 0.0 112.198 -176.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.5 m -72.02 -41.06 67.97 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.213 1.005 . . . . 0.0 111.366 174.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 m -62.36 -37.24 84.95 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.564 -0.71 . . . . 0.0 112.728 170.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.5 mmm -69.27 -39.82 78.16 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.381 0.992 . . . . 0.0 111.866 175.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.1 tt -65.74 -38.64 89.67 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.373 1.069 . . . . 0.0 111.155 174.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.36 -43.99 94.14 Favored Glycine 0 CA--C 1.525 0.704 0 C-N-CA 124.556 1.074 . . . . 0.0 111.736 174.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.4 m -65.73 -39.89 91.61 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.793 0.837 . . . . 0.0 110.939 176.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 tt -59.62 -40.12 86.52 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.324 1.049 . . . . 0.0 112.152 170.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 84.9 m -69.84 -38.54 76.54 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.934 0.893 . . . . 0.0 111.187 178.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -64.55 -38.03 89.59 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.634 1.173 . . . . 0.0 111.994 172.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -68.26 -42.16 80.03 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 124.499 1.119 . . . . 0.0 110.926 178.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.5 m-30 -65.72 -38.39 89.05 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.641 0.777 . . . . 0.0 113.067 170.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -58.19 -47.49 83.27 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.909 1.231 . . . . 0.0 110.328 173.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -54.28 -59.66 4.38 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.466 1.107 . . . . 0.0 111.104 174.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -71.65 -17.37 62.26 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -173.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.3 t60 -72.09 -48.25 45.37 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 123.94 0.896 . . . . 0.0 112.153 175.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.2 t -79.04 -30.05 43.89 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -176.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -158.67 155.4 24.97 Favored Pre-proline 0 N--CA 1.479 1.022 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 -170.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -85.05 -40.69 0.08 OUTLIER 'Trans proline' 0 CA--C 1.544 0.988 0 C-N-CA 123.721 2.947 . . . . 0.0 114.467 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -89.26 -0.13 57.22 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.944 1.298 . . . . 0.0 113.369 -178.234 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.6 t -27.21 -27.48 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.824 1 C-N-CA 133.588 4.755 . . . . 0.0 119.305 179.461 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -59.88 -14.42 15.28 Favored 'General case' 0 CA--C 1.551 0.983 0 O-C-N 120.402 -1.436 . . . . 0.0 114.157 176.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.1 t -104.72 -2.96 24.23 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.959 1.704 . . . . 0.0 114.057 174.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -179.49 79.89 0.06 OUTLIER Glycine 0 CA--C 1.531 1.073 0 C-N-CA 125.797 1.665 . . . . 0.0 111.613 -167.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.2 m -56.97 -18.45 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.225 0 N-CA-C 116.267 1.951 . . . . 0.0 116.267 -166.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -136.16 36.56 1.99 Allowed Glycine 0 CA--C 1.533 1.166 0 C-N-CA 126.309 1.909 . . . . 0.0 112.268 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.4 m -144.91 140.18 16.0 Favored Pre-proline 0 N--CA 1.478 0.932 0 C-N-CA 124.941 1.296 . . . . 0.0 111.109 -164.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -72.33 169.03 22.63 Favored 'Trans proline' 0 CA--C 1.542 0.896 0 C-N-CA 123.146 2.564 . . . . 0.0 112.996 174.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.378 0 O-C-N 120.334 -1.479 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.3 p . . . . . 0 N--CA 1.483 1.203 0 CA-C-O 121.048 0.451 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.69 -63.79 3.7 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 126.019 1.771 . . . . 0.0 112.684 -171.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 -150.11 174.02 13.23 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 128.815 2.846 . . . . 0.0 107.33 167.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -58.97 -54.98 41.07 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 120.804 -1.185 . . . . 0.0 111.132 172.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 m -66.0 -33.54 76.04 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.821 1.248 . . . . 0.0 112.24 -178.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 51.3 m -65.19 -40.8 94.7 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.404 0.682 . . . . 0.0 110.811 172.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 t -67.25 -39.06 86.09 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.925 -0.484 . . . . 0.0 112.123 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.3 mmm -66.6 -39.01 88.19 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.657 0.783 . . . . 0.0 111.955 174.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.4 tt -66.84 -39.37 87.61 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.397 1.079 . . . . 0.0 111.128 174.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.53 -39.15 95.42 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 124.502 1.048 . . . . 0.0 112.244 174.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.1 m -68.61 -41.33 79.69 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.207 1.003 . . . . 0.0 111.104 175.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 tt -60.41 -41.08 93.15 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.475 1.11 . . . . 0.0 112.046 171.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 86.6 m -69.36 -38.81 78.25 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.045 0.938 . . . . 0.0 110.958 177.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -64.84 -35.55 81.49 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.888 1.275 . . . . 0.0 111.448 172.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -71.09 -43.4 67.8 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.668 1.187 . . . . 0.0 111.003 177.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -62.07 -39.29 91.91 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.377 0.671 . . . . 0.0 112.796 170.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -61.62 -46.12 91.17 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.7 1.2 . . . . 0.0 110.857 174.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -55.34 -54.84 38.52 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.043 1.337 . . . . 0.0 111.558 174.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -66.39 -20.8 66.17 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 178.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -76.79 -46.04 26.5 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.611 1.165 . . . . 0.0 112.556 172.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.9 t -74.05 -24.11 59.48 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 118.613 0.642 . . . . 0.0 112.38 -176.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -155.11 141.87 13.41 Favored Pre-proline 0 CA--C 1.547 0.837 0 C-N-CA 123.641 0.776 . . . . 0.0 112.175 171.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -67.63 -29.17 36.87 Favored 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 122.841 2.361 . . . . 0.0 115.855 -160.054 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -116.14 -13.11 11.17 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.905 1.282 . . . . 0.0 113.863 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 t 42.88 -6.9 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.41 1 C-N-CA 132.656 4.382 . . . . 0.0 121.443 173.291 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -51.04 -23.67 3.2 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 117.039 2.237 . . . . 0.0 117.039 -171.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.6 t -68.86 -15.46 63.5 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 175.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 145.69 -54.31 0.55 Allowed Glycine 0 CA--C 1.527 0.837 0 C-N-CA 126.13 1.824 . . . . 0.0 112.822 174.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.91 -44.23 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 127.399 2.279 . . . . 0.0 110.302 167.139 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.93 -0.2 86.12 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.56 1.076 . . . . 0.0 115.169 176.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 26.6 m -42.05 111.42 0.92 Allowed Pre-proline 0 N--CA 1.477 0.906 0 C-N-CA 126.75 2.02 . . . . 0.0 112.86 -177.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -79.84 8.07 4.23 Favored 'Trans proline' 0 CA--C 1.546 1.109 0 C-N-CA 123.672 2.915 . . . . 0.0 114.741 -170.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 O-C-N 119.599 -1.938 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 119.59 -0.243 . . . . 0.0 110.676 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -53.25 -46.03 63.74 Favored Glycine 0 CA--C 1.539 1.547 0 C-N-CA 124.984 1.278 . . . . 0.0 116.051 -174.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -157.16 161.63 39.34 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.392 1.477 . . . . 0.0 111.407 171.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -50.64 -52.24 41.54 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 125.373 1.469 . . . . 0.0 112.535 -175.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.3 m -63.5 -35.64 81.12 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.224 1.01 . . . . 0.0 112.046 -176.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 97.4 m -69.44 -41.22 76.57 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.917 0.887 . . . . 0.0 111.139 173.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.9 m -65.21 -36.52 84.43 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.589 -0.694 . . . . 0.0 112.054 175.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 35.1 mmt -69.18 -39.13 78.89 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.911 0.884 . . . . 0.0 111.872 174.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tt -65.65 -39.04 90.98 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.066 0.947 . . . . 0.0 111.043 173.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.67 -39.31 93.71 Favored Glycine 0 CA--C 1.53 1.021 0 C-N-CA 124.669 1.128 . . . . 0.0 112.331 174.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.9 m -66.94 -42.66 84.89 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.185 0.994 . . . . 0.0 110.759 174.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.423 HD21 ' CE2' ' A' ' 16' ' ' PHE . 3.7 tt -59.91 -42.23 93.44 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.603 1.161 . . . . 0.0 112.017 172.286 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.3 m -69.27 -39.43 78.4 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.183 0.993 . . . . 0.0 111.246 178.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -62.53 -38.33 89.55 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.664 1.586 . . . . 0.0 110.99 172.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -74.64 -37.7 62.69 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.035 0.934 . . . . 0.0 112.095 179.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.423 ' CE2' HD21 ' A' ' 12' ' ' LEU . 15.5 m-30 -63.09 -40.22 97.03 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.18 -0.95 . . . . 0.0 112.54 167.592 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -61.58 -44.75 96.45 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.329 1.452 . . . . 0.0 110.83 175.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -54.17 -57.99 9.04 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.677 1.591 . . . . 0.0 112.974 169.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -68.09 -24.53 65.06 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 -177.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -69.01 -47.26 65.91 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 124.616 1.166 . . . . 0.0 111.872 178.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.5 t -86.4 -18.65 31.23 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -178.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -155.2 101.3 2.27 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 123.54 0.736 . . . . 0.0 111.055 -175.051 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -66.61 -28.2 45.01 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 123.808 3.005 . . . . 0.0 114.648 -170.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -82.11 -11.13 58.93 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.754 1.621 . . . . 0.0 113.852 172.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.2 t 44.75 -7.85 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.23 1 C-N-CA 132.119 4.168 . . . . 0.0 120.985 179.345 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.2 p-10 -46.57 -36.54 6.97 Favored 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 117.59 2.441 . . . . 0.0 117.59 -167.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.3 m -163.78 114.36 1.32 Allowed 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.614 1.965 . . . . 0.0 108.536 173.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 138.19 70.11 0.05 OUTLIER Glycine 0 CA--C 1.528 0.85 0 C-N-CA 125.314 1.435 . . . . 0.0 112.988 172.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.2 m -58.07 -30.53 39.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 -169.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -136.38 19.47 3.6 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 125.07 1.319 . . . . 0.0 114.227 -173.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 85.7 m -158.18 134.95 6.6 Favored Pre-proline 0 N--CA 1.481 1.093 0 CA-C-N 118.902 1.351 . . . . 0.0 109.803 -175.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -77.3 36.8 0.56 Allowed 'Trans proline' 0 CA--C 1.55 1.322 0 C-N-CA 124.674 3.583 . . . . 0.0 113.489 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.354 0 O-C-N 119.123 -2.236 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 10.0 t . . . . . 0 N--CA 1.485 1.32 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -169.48 -36.02 0.02 OUTLIER Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.544 1.068 . . . . 0.0 115.077 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -152.35 162.7 40.8 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.335 1.454 . . . . 0.0 111.01 170.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.1 tt -50.7 -52.49 39.69 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.221 1.408 . . . . 0.0 112.42 -175.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.8 m -63.4 -35.38 80.22 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.317 1.047 . . . . 0.0 111.895 -175.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 97.2 m -69.17 -41.08 77.69 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.06 0.944 . . . . 0.0 111.082 172.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.8 m -65.34 -37.91 88.51 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 118.733 0.697 . . . . 0.0 112.281 175.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.9 mmm -67.98 -39.51 83.27 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.355 -0.841 . . . . 0.0 111.941 174.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.2 tt -65.88 -38.97 90.2 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.034 0.934 . . . . 0.0 111.21 174.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.28 -43.2 95.6 Favored Glycine 0 CA--C 1.526 0.733 0 C-N-CA 124.711 1.148 . . . . 0.0 111.789 175.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.4 m -68.95 -38.51 79.48 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.724 1.21 . . . . 0.0 111.384 176.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.476 HD21 ' CE2' ' A' ' 16' ' ' PHE . 2.7 tt -57.27 -40.91 78.66 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.891 0.876 . . . . 0.0 111.443 168.31 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.2 m -69.44 -37.83 77.56 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.093 0.957 . . . . 0.0 111.513 177.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -63.82 -40.41 96.55 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.608 -0.682 . . . . 0.0 110.946 172.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -72.69 -35.3 67.62 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.448 0.699 . . . . 0.0 112.166 -178.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.476 ' CE2' HD21 ' A' ' 12' ' ' LEU . 12.8 m-30 -62.5 -37.13 84.82 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.303 1.041 . . . . 0.0 112.835 165.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -63.26 -48.58 77.57 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.08 0.855 . . . . 0.0 110.568 171.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -58.52 -40.31 82.55 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.792 1.637 . . . . 0.0 113.07 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -67.61 -37.26 82.29 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.385 0.674 . . . . 0.0 112.797 168.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -63.42 -37.83 88.8 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 120.683 -1.26 . . . . 0.0 111.913 -177.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.0 t -77.62 -21.88 51.63 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 176.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -146.89 95.61 4.46 Favored Pre-proline 0 CA--C 1.554 1.124 0 C-N-CA 124.376 1.07 . . . . 0.0 111.405 176.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -60.73 -31.41 91.9 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 124.126 3.217 . . . . 0.0 116.592 -154.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -100.83 -6.75 24.36 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 -175.083 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.6 m -155.38 111.02 3.07 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.85 1.26 . . . . 0.0 109.86 -175.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.7 p-10 -60.57 40.75 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 128.689 2.795 . . . . 0.0 116.757 175.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.8 t -130.87 -6.11 4.0 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.42 1.488 . . . . 0.0 114.194 -175.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.82 47.53 1.86 Allowed Glycine 0 N--CA 1.473 1.115 0 C-N-CA 125.535 1.54 . . . . 0.0 111.985 -176.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.8 p -48.83 -18.16 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 129.901 3.28 . . . . 0.0 116.011 -166.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -145.78 14.6 1.76 Allowed Glycine 0 CA--C 1.537 1.412 0 C-N-CA 124.367 0.984 . . . . 0.0 115.539 170.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.6 m -161.41 134.03 4.43 Favored Pre-proline 0 N--CA 1.481 1.122 0 CA-C-N 119.414 1.607 . . . . 0.0 110.213 -178.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -74.43 54.12 3.27 Favored 'Trans proline' 0 CA--C 1.55 1.288 0 C-N-CA 124.873 3.715 . . . . 0.0 113.307 176.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.414 0 O-C-N 119.342 -2.099 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.488 1.454 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -57.81 -35.9 77.11 Favored Glycine 0 CA--C 1.538 1.518 0 O-C-N 121.343 -0.848 . . . . 0.0 114.34 176.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -150.06 169.98 19.95 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.851 2.06 . . . . 0.0 109.689 174.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.3 tt -59.58 -49.1 79.09 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.371 1.068 . . . . 0.0 110.742 168.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.6 p -56.94 -36.42 70.23 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.84 1.656 . . . . 0.0 113.425 173.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.0 m -67.17 -41.63 85.64 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.192 0.997 . . . . 0.0 110.839 174.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 80.6 m -61.86 -38.98 90.28 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 170.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.4 mmm -68.17 -38.24 81.86 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.38 0.991 . . . . 0.0 112.016 176.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.4 tt -66.88 -39.44 87.5 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.609 1.164 . . . . 0.0 111.056 174.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.87 -40.07 95.33 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 124.602 1.096 . . . . 0.0 112.167 174.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.5 m -68.3 -40.46 81.73 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.249 1.019 . . . . 0.0 110.976 175.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.6 tt -60.08 -45.05 94.19 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.092 0.957 . . . . 0.0 111.545 171.214 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.1 m -66.55 -38.07 86.34 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.221 1.008 . . . . 0.0 111.088 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.5 tp60 -61.83 -39.27 91.23 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.913 1.285 . . . . 0.0 110.69 171.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -38.74 86.86 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.742 1.217 . . . . 0.0 111.734 176.445 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -66.88 -38.03 85.54 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 171.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -59.73 -44.76 93.63 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.428 1.091 . . . . 0.0 111.088 170.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -57.75 -54.29 48.61 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.114 1.366 . . . . 0.0 111.49 173.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -57.77 -34.08 69.2 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.757 0.823 . . . . 0.0 112.292 177.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -69.06 -44.73 72.0 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.926 1.29 . . . . 0.0 112.318 -179.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.5 t -75.84 -28.96 58.42 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -165.22 123.0 1.11 Allowed Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 125.924 1.69 . . . . 0.0 110.781 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -61.12 -22.2 73.96 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 122.914 2.409 . . . . 0.0 115.026 -177.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -110.33 -2.8 16.52 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.368 1.867 . . . . 0.0 115.095 -173.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.4 t -76.78 -4.84 45.57 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 -176.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -60.99 -8.94 3.59 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 116.858 2.17 . . . . 0.0 116.858 -164.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.2 t -67.55 -13.19 61.84 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 164.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -140.47 -100.66 0.44 Allowed Glycine 0 CA--C 1.534 1.245 0 C-N-CA 126.059 1.79 . . . . 0.0 113.266 -175.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.1 p -156.64 -47.0 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 N-CA-C 115.875 1.806 . . . . 0.0 115.875 -169.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 177.25 62.63 0.06 OUTLIER Glycine 0 N--CA 1.471 0.981 0 CA-C-N 119.254 0.934 . . . . 0.0 113.183 -165.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.8 m -154.33 138.99 11.55 Favored Pre-proline 0 N--CA 1.481 1.091 0 C-N-CA 126.063 1.745 . . . . 0.0 110.147 -168.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.99 -35.7 41.88 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 122.367 2.044 . . . . 0.0 113.787 -176.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.403 0 O-C-N 120.483 -1.386 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 10.1 t . . . . . 0 N--CA 1.485 1.315 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -169.36 -36.16 0.02 OUTLIER Glycine 0 CA--C 1.538 1.52 0 C-N-CA 124.66 1.124 . . . . 0.0 115.052 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -152.42 162.5 41.1 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.243 1.417 . . . . 0.0 111.176 171.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -50.77 -52.2 43.06 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.383 1.473 . . . . 0.0 112.561 -175.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.1 m -63.04 -35.68 81.04 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.186 0.994 . . . . 0.0 111.999 -176.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 98.8 m -69.84 -41.3 75.1 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.969 0.908 . . . . 0.0 111.214 173.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.3 m -64.97 -37.19 86.84 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.642 -0.661 . . . . 0.0 112.147 175.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 92.0 mmm -68.42 -39.42 81.58 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.797 0.839 . . . . 0.0 111.863 174.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.4 tt -65.89 -39.22 90.43 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.146 0.978 . . . . 0.0 111.143 174.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.5 -39.02 93.89 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.732 1.158 . . . . 0.0 112.335 175.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.6 m -68.71 -40.67 79.84 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.04 0.936 . . . . 0.0 111.04 174.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 tt -60.95 -41.27 95.99 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.417 1.087 . . . . 0.0 112.091 171.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.4 m -68.54 -39.15 81.24 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.073 0.949 . . . . 0.0 110.703 177.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -65.51 -36.45 83.87 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.875 1.27 . . . . 0.0 111.576 172.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -68.68 -43.09 76.85 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.598 1.159 . . . . 0.0 110.479 177.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -63.38 -42.51 98.85 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 171.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -56.26 -46.97 79.45 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.434 1.494 . . . . 0.0 110.719 173.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 tmmm? -62.95 -53.74 49.34 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 125.706 1.602 . . . . 0.0 110.722 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -59.68 -26.56 65.67 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.622 0.769 . . . . 0.0 112.9 177.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -74.49 -46.98 35.94 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.934 0.894 . . . . 0.0 113.228 174.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.4 t -79.01 -29.39 43.64 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -178.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -176.06 114.32 0.27 Allowed Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 126.086 1.754 . . . . 0.0 111.559 -178.048 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -69.12 -29.84 26.23 Favored 'Trans proline' 0 CA--C 1.539 0.739 0 C-N-CA 122.785 2.323 . . . . 0.0 115.028 -175.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -128.77 -12.94 4.76 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 115.865 1.802 . . . . 0.0 115.865 -161.463 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.6 m -63.91 -51.58 63.82 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.474 1.11 . . . . 0.0 112.458 -173.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.8 p30 -153.94 156.11 36.88 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 126.043 1.737 . . . . 0.0 109.361 161.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.4 t -87.48 -11.61 48.48 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 -175.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.2 -50.0 18.81 Favored Glycine 0 N--CA 1.468 0.818 0 C-N-CA 124.559 1.076 . . . . 0.0 114.101 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.2 p -142.78 -26.12 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.862 1.265 . . . . 0.0 113.669 -171.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.79 -31.62 3.91 Favored Glycine 0 CA--C 1.527 0.788 0 C-N-CA 125.429 1.49 . . . . 0.0 112.641 175.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 43.8 p -61.83 138.04 95.39 Favored Pre-proline 0 CA--C 1.54 0.595 0 CA-C-N 117.854 0.827 . . . . 0.0 110.734 174.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -76.32 -10.66 19.15 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 123.275 2.65 . . . . 0.0 114.453 -171.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 O-C-N 120.054 -1.654 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 10.1 t . . . . . 0 N--CA 1.485 1.298 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -169.53 -36.18 0.02 OUTLIER Glycine 0 CA--C 1.538 1.529 0 O-C-N 120.885 -1.134 . . . . 0.0 115.002 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -152.2 162.75 40.67 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.383 1.473 . . . . 0.0 111.061 170.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.9 tt -50.53 -52.58 37.36 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.269 1.428 . . . . 0.0 112.432 -175.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.1 m -63.64 -35.37 80.31 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.218 1.007 . . . . 0.0 111.94 -175.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 98.0 m -68.91 -40.8 78.89 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.952 0.901 . . . . 0.0 111.124 172.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.3 m -65.29 -37.75 88.11 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.571 -0.706 . . . . 0.0 112.3 175.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.9 mmt -67.25 -39.59 86.16 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.348 -0.845 . . . . 0.0 111.871 174.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.4 tt -66.44 -39.2 88.76 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.185 0.994 . . . . 0.0 111.126 175.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.95 -38.81 93.09 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 124.82 1.2 . . . . 0.0 112.312 175.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.1 m -68.77 -41.24 79.11 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.982 0.913 . . . . 0.0 111.013 174.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.422 HD21 ' CE2' ' A' ' 16' ' ' PHE . 3.9 tt -59.56 -42.59 92.74 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.435 1.094 . . . . 0.0 111.906 171.453 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.0 m -68.44 -38.65 81.35 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.271 1.028 . . . . 0.0 111.126 177.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -64.3 -37.36 87.21 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.392 1.077 . . . . 0.0 111.192 173.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -73.05 -38.43 66.5 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.937 0.895 . . . . 0.0 111.641 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.422 ' CE2' HD21 ' A' ' 12' ' ' LEU . 16.6 m-30 -62.14 -37.0 83.52 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.305 -0.872 . . . . 0.0 112.8 167.518 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -48.08 81.52 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 119.444 1.02 . . . . 0.0 110.704 172.436 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -56.74 -49.52 74.97 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.965 1.306 . . . . 0.0 111.878 177.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -70.67 -24.53 62.7 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 177.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -71.07 -46.68 61.45 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.229 1.012 . . . . 0.0 111.873 173.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.9 t -75.31 -22.49 57.65 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -177.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -158.8 120.38 1.9 Allowed Pre-proline 0 CA--C 1.548 0.871 0 C-N-CA 124.676 1.19 . . . . 0.0 111.139 173.132 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -59.23 -22.82 66.77 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 123.163 2.575 . . . . 0.0 116.647 -176.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -138.68 -25.62 0.9 Allowed 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 116.426 2.01 . . . . 0.0 116.426 -178.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.3 m -56.99 -55.07 39.45 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 115.086 1.513 . . . . 0.0 115.086 -164.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 44.1 40.46 3.48 Favored 'General case' 0 CA--C 1.556 1.187 0 N-CA-C 115.482 1.66 . . . . 0.0 115.482 173.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.9 m -110.58 -51.72 2.84 Favored 'General case' 0 N--CA 1.484 1.269 0 O-C-N 121.254 -0.904 . . . . 0.0 113.119 -167.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.91 -53.84 5.61 Favored Glycine 0 N--CA 1.472 1.087 0 C-N-CA 124.118 0.865 . . . . 0.0 111.139 170.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.5 p -149.18 -52.58 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 125.284 1.434 . . . . 0.0 109.664 158.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -131.01 -46.28 0.14 Allowed Glycine 0 N--CA 1.471 1.012 0 C-N-CA 127.069 2.271 . . . . 0.0 109.448 167.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.7 p -49.06 162.72 0.37 Allowed Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 127.727 2.411 . . . . 0.0 113.564 156.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -75.3 -12.58 20.94 Favored 'Trans proline' 0 CA--C 1.543 0.939 0 C-N-CA 123.423 2.749 . . . . 0.0 114.109 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 O-C-N 120.043 -1.661 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 10.2 t . . . . . 0 N--CA 1.485 1.316 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -169.36 -36.09 0.02 OUTLIER Glycine 0 CA--C 1.538 1.518 0 O-C-N 120.945 -1.097 . . . . 0.0 115.039 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -152.41 162.57 40.99 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.211 1.404 . . . . 0.0 111.196 171.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -50.9 -52.11 45.22 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.495 1.518 . . . . 0.0 112.543 -175.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.3 m -63.24 -35.56 80.74 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.258 1.023 . . . . 0.0 111.959 -176.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 98.6 m -69.86 -41.28 75.03 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.021 0.928 . . . . 0.0 111.168 173.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.3 m -64.93 -37.17 86.75 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.561 -0.712 . . . . 0.0 112.15 175.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 92.1 mmm -68.62 -39.21 80.91 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.761 0.824 . . . . 0.0 111.861 174.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tt -66.0 -39.15 90.04 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.129 0.972 . . . . 0.0 111.045 174.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.54 -39.42 93.94 Favored Glycine 0 CA--C 1.53 0.995 0 C-N-CA 124.731 1.158 . . . . 0.0 112.301 175.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.2 m -68.6 -40.42 80.46 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.997 0.919 . . . . 0.0 110.981 175.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.8 tt -60.84 -42.93 98.76 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.155 0.982 . . . . 0.0 111.755 171.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.3 m -67.45 -39.06 85.35 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.25 -0.907 . . . . 0.0 110.719 178.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 50.7 tp60 -63.13 -34.99 78.81 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.847 1.259 . . . . 0.0 111.08 171.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -69.44 -44.31 71.53 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 124.545 1.138 . . . . 0.0 111.313 177.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -62.7 -38.48 90.57 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 171.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -64.76 -43.24 93.9 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.03 1.332 . . . . 0.0 111.547 175.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -55.64 -51.16 68.16 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.204 1.402 . . . . 0.0 111.819 171.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -63.34 -27.09 69.08 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 175.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -74.61 -41.03 61.16 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.448 1.099 . . . . 0.0 112.912 175.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.9 t -71.05 -36.01 72.14 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 118.828 0.74 . . . . 0.0 111.112 173.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -164.42 143.04 5.76 Favored Pre-proline 0 CA--C 1.553 1.068 0 N-CA-C 116.482 2.03 . . . . 0.0 116.482 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -73.74 -57.38 0.07 OUTLIER 'Trans proline' 0 CA--C 1.545 1.065 0 C-N-CA 123.072 2.515 . . . . 0.0 115.88 -179.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -128.02 -8.67 5.42 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 117.775 2.509 . . . . 0.0 117.775 -162.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.3 m -140.79 -101.74 0.15 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.814 1.646 . . . . 0.0 110.18 175.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -155.76 162.23 40.55 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 121.052 1.751 . . . . 0.0 113.034 168.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.4 m -139.15 -42.9 0.46 Allowed 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 126.024 1.73 . . . . 0.0 111.102 159.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -108.98 -94.47 2.33 Favored Glycine 0 CA--C 1.529 0.969 0 C-N-CA 124.111 0.862 . . . . 0.0 113.021 177.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.7 p -59.82 -30.05 44.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.298 0 N-CA-C 115.359 1.614 . . . . 0.0 115.359 -158.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.18 -2.54 4.31 Favored Glycine 0 CA--C 1.533 1.165 0 CA-C-O 118.242 -1.31 . . . . 0.0 115.59 176.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.9 m -157.42 140.29 10.8 Favored Pre-proline 0 N--CA 1.48 1.049 0 CA-C-N 120.184 1.992 . . . . 0.0 110.918 -157.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -71.35 146.92 51.77 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.342 2.028 . . . . 0.0 112.604 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.67 0 O-C-N 120.811 -1.181 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 5.1 t . . . . . 0 N--CA 1.488 1.459 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 161.72 -32.77 0.35 Allowed Glycine 0 N--CA 1.482 1.722 0 O-C-N 121.236 -0.915 . . . . 0.0 114.255 177.081 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.454 ' H ' ' HB ' ' A' ' 6' ' ' THR . 18.0 m-80 -138.08 172.27 13.17 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 128.229 2.612 . . . . 0.0 107.365 167.115 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -56.7 -56.64 18.83 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.046 0.839 . . . . 0.0 111.927 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.3 m -65.02 -33.15 75.36 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.52 1.128 . . . . 0.0 112.155 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.454 ' HB ' ' H ' ' A' ' 3' ' ' ASN . 20.6 m -65.91 -41.36 91.54 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.958 0.903 . . . . 0.0 111.149 173.599 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -67.88 -37.3 81.6 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.367 1.067 . . . . 0.0 112.293 175.391 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.1 mmm -67.15 -39.35 86.51 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.503 -0.748 . . . . 0.0 111.873 173.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tt -66.54 -39.06 88.37 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.486 1.114 . . . . 0.0 111.136 174.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.07 -38.94 94.47 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 124.48 1.038 . . . . 0.0 112.374 174.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.1 m -68.64 -42.09 78.48 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.025 0.93 . . . . 0.0 110.819 174.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.45 HD21 ' CE2' ' A' ' 16' ' ' PHE . 3.2 tt -58.6 -42.14 87.45 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.358 1.063 . . . . 0.0 111.928 171.191 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.5 m -68.48 -38.53 81.1 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.407 1.083 . . . . 0.0 111.09 177.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.2 tp60 -64.58 -35.59 81.5 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.783 1.233 . . . . 0.0 111.124 173.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.458 ' HA ' ' HE3' ' A' ' 18' ' ' LYS . 2.8 t70 -73.06 -40.39 65.1 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.366 1.066 . . . . 0.0 111.808 177.394 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.45 ' CE2' HD21 ' A' ' 12' ' ' LEU . 15.8 m-30 -62.52 -36.06 81.38 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.491 1.116 . . . . 0.0 112.966 169.17 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -64.93 -47.7 76.76 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.346 1.058 . . . . 0.0 110.337 173.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.458 ' HE3' ' HA ' ' A' ' 15' ' ' ASP . 6.8 mtmt -60.52 -41.84 95.2 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.034 0.934 . . . . 0.0 112.759 175.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -62.49 -33.98 75.94 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.268 0.627 . . . . 0.0 112.661 169.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -70.05 -40.57 75.02 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.039 -1.038 . . . . 0.0 112.17 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 t -73.12 -31.77 64.52 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 171.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -144.14 94.51 5.78 Favored Pre-proline 0 CA--C 1.552 1.043 0 O-C-N 121.134 -0.979 . . . . 0.0 113.043 -179.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -68.53 -30.02 29.61 Favored 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 123.356 2.704 . . . . 0.0 115.676 -165.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -73.28 -23.58 60.32 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.1 m -158.67 110.63 2.21 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 124.761 1.224 . . . . 0.0 109.993 -168.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 46.5 p-10 -61.21 43.72 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 128.633 2.773 . . . . 0.0 116.363 174.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.6 t -136.75 -5.65 1.95 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 126.041 1.737 . . . . 0.0 113.941 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.57 44.34 3.25 Favored Glycine 0 N--CA 1.474 1.177 0 C-N-CA 125.633 1.587 . . . . 0.0 113.0 -175.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.4 p -47.35 -24.3 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 C-N-CA 130.138 3.375 . . . . 0.0 115.613 -171.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -146.58 23.51 1.67 Allowed Glycine 0 CA--C 1.535 1.287 0 C-N-CA 125.07 1.319 . . . . 0.0 113.523 171.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.1 m -154.98 102.4 2.29 Favored Pre-proline 0 N--CA 1.476 0.871 0 C-N-CA 125.632 1.573 . . . . 0.0 110.019 -175.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -60.24 26.48 0.04 OUTLIER 'Trans proline' 0 CA--C 1.552 1.396 1 C-N-CA 126.251 4.634 . . . . 0.0 117.613 172.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.428 0 O-C-N 119.002 -2.311 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 57.3 m . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.379 0.133 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -58.98 -34.84 80.72 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 123.973 0.797 . . . . 0.0 114.273 174.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -156.46 167.75 29.48 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.392 1.477 . . . . 0.0 111.02 170.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.37 -51.24 67.46 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 125.76 1.624 . . . . 0.0 112.412 -178.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.9 m -64.95 -33.55 76.31 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.624 1.169 . . . . 0.0 112.313 -176.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 75.2 m -69.7 -41.81 74.9 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.095 0.958 . . . . 0.0 110.709 173.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.22 -35.12 77.94 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 169.339 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.9 mmt -68.97 -39.69 79.3 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.585 1.084 . . . . 0.0 111.732 174.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tt -65.82 -39.09 90.52 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.421 1.088 . . . . 0.0 111.006 174.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.55 -39.0 93.81 Favored Glycine 0 CA--C 1.529 0.937 0 C-N-CA 124.775 1.179 . . . . 0.0 112.35 175.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.0 m -68.93 -41.87 77.53 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.999 0.919 . . . . 0.0 110.972 174.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.436 HD21 ' CE2' ' A' ' 16' ' ' PHE . 3.6 tt -58.61 -42.64 88.62 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.455 1.102 . . . . 0.0 111.867 171.33 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.5 m -68.35 -38.46 81.49 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.368 1.067 . . . . 0.0 111.199 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -65.29 -34.86 79.35 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.446 1.098 . . . . 0.0 111.11 173.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -74.41 -39.51 62.59 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.827 0.851 . . . . 0.0 111.649 177.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.436 ' CE2' HD21 ' A' ' 12' ' ' LEU . 16.3 m-30 -60.65 -36.98 80.01 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.375 -0.828 . . . . 0.0 112.548 167.605 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -67.21 -45.17 77.62 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.772 1.229 . . . . 0.0 111.3 174.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -58.95 -41.75 88.2 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.607 1.563 . . . . 0.0 112.782 173.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -62.57 -39.64 94.33 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.948 0.899 . . . . 0.0 112.031 169.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -67.76 -40.2 84.08 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.372 -0.83 . . . . 0.0 112.451 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.7 t -81.7 -24.03 36.44 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.456 0.702 . . . . 0.0 112.785 177.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -151.09 85.91 4.96 Favored Pre-proline 0 CA--C 1.55 0.959 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 176.181 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -69.51 -34.32 15.66 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.829 3.02 . . . . 0.0 115.468 -162.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.4 pm0 -84.05 -3.8 58.3 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 -176.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.9 m -134.76 -40.3 0.78 Allowed 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -168.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 59.2 t30 62.27 36.41 14.72 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.787 1.635 . . . . 0.0 113.442 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.5 m -166.15 110.31 0.8 Allowed 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 127.809 2.444 . . . . 0.0 107.421 168.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 152.06 72.07 0.01 OUTLIER Glycine 0 CA--C 1.525 0.699 0 C-N-CA 124.655 1.122 . . . . 0.0 111.967 -173.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.8 p -56.71 -18.09 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 N-CA-C 116.125 1.898 . . . . 0.0 116.125 -162.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -130.76 44.22 1.23 Allowed Glycine 0 CA--C 1.537 1.43 0 C-N-CA 125.709 1.623 . . . . 0.0 114.205 -177.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.9 m 42.49 70.89 1.56 Allowed Pre-proline 0 N--CA 1.485 1.288 0 C-N-CA 126.999 2.12 . . . . 0.0 114.847 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -54.13 -13.06 4.31 Favored 'Trans proline' 0 CA--C 1.545 1.054 0 C-N-CA 124.835 3.69 . . . . 0.0 117.379 176.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 O-C-N 119.783 -1.823 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 N-CA-C 110.183 -0.302 . . . . 0.0 110.183 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -58.25 -38.01 88.74 Favored Glycine 0 CA--C 1.539 1.563 0 O-C-N 121.455 -0.778 . . . . 0.0 114.285 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -162.15 171.53 17.28 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.812 2.045 . . . . 0.0 110.632 174.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.8 tt -53.58 -51.7 62.14 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.848 1.659 . . . . 0.0 112.212 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.3 m -63.87 -30.66 71.73 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.095 0.958 . . . . 0.0 112.531 -178.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 87.7 m -72.34 -39.68 67.98 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.468 1.107 . . . . 0.0 111.264 173.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 83.2 m -59.51 -39.05 82.56 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 166.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.9 mmm -68.31 -38.49 81.66 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.53 1.059 . . . . 0.0 111.975 176.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.5 tt -66.38 -39.52 89.14 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.445 1.098 . . . . 0.0 111.062 174.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.36 -39.45 94.24 Favored Glycine 0 CA--C 1.53 0.991 0 C-N-CA 124.547 1.07 . . . . 0.0 112.371 175.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.6 m -68.93 -40.78 78.84 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.05 0.94 . . . . 0.0 111.056 175.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.1 tt -59.21 -44.91 92.26 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.089 0.956 . . . . 0.0 111.423 171.048 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 92.1 m -66.95 -38.12 85.54 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.408 1.083 . . . . 0.0 111.056 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.3 tp60 -62.99 -33.89 76.36 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.839 1.256 . . . . 0.0 110.893 171.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.52 -39.76 64.54 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.991 0.916 . . . . 0.0 112.634 176.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -62.97 -37.23 86.28 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.548 -0.72 . . . . 0.0 112.795 168.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -63.04 -46.26 88.41 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.329 1.052 . . . . 0.0 111.0 171.127 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -56.68 -45.9 81.45 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.996 1.718 . . . . 0.0 112.589 175.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -63.65 -35.03 79.18 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.398 0.679 . . . . 0.0 112.629 171.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -70.12 -42.23 72.91 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.238 -0.914 . . . . 0.0 112.349 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.9 t -78.51 -28.01 46.18 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.058 0.543 . . . . 0.0 112.39 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -155.17 87.59 3.24 Favored Pre-proline 0 CA--C 1.551 1.012 0 C-N-CA 124.443 1.097 . . . . 0.0 112.003 177.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -67.52 -33.32 29.31 Favored 'Trans proline' 0 CA--C 1.535 0.553 0 C-N-CA 123.28 2.653 . . . . 0.0 114.789 -169.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.2 tm0? -70.94 -47.03 61.31 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.165 0.986 . . . . 0.0 112.233 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.1 -26.33 15.53 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.394 1.078 . . . . 0.0 113.836 -171.194 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 64.99 25.23 12.68 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 126.329 1.852 . . . . 0.0 113.317 178.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 26.6 m -161.78 112.0 1.6 Allowed 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.503 1.921 . . . . 0.0 109.055 171.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 177.18 63.97 0.06 OUTLIER Glycine 0 CA--C 1.522 0.496 0 C-N-CA 125.187 1.375 . . . . 0.0 111.748 -178.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.9 p -50.64 -18.06 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 C-N-CA 127.9 2.48 . . . . 0.0 116.341 -158.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -143.85 18.64 2.18 Favored Glycine 0 CA--C 1.538 1.49 0 CA-C-O 118.522 -1.154 . . . . 0.0 115.805 171.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.428 ' HG1' ' N ' ' A' ' 33' ' ' NH2 . 9.3 t -160.89 139.76 7.61 Favored Pre-proline 0 N--CA 1.478 0.936 0 CA-C-N 119.983 1.891 . . . . 0.0 113.748 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -79.26 6.59 4.96 Favored 'Trans proline' 0 CA--C 1.548 1.19 0 C-N-CA 124.175 3.25 . . . . 0.0 113.339 167.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . 0.428 ' N ' ' HG1' ' A' ' 31' ' ' THR . . . . . . . . 0 C--N 1.329 -0.29 0 O-C-N 119.302 -2.124 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 33.7 t . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.626 0.251 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -175.15 -24.62 0.03 OUTLIER Glycine 0 CA--C 1.538 1.507 0 C-N-CA 125.657 1.598 . . . . 0.0 114.09 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -151.06 168.17 25.44 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.745 2.018 . . . . 0.0 110.426 172.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -51.45 -52.46 46.24 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.263 1.425 . . . . 0.0 112.541 -178.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.1 m -63.36 -33.67 76.05 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.163 0.985 . . . . 0.0 112.113 -176.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.9 m -72.09 -41.0 67.81 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.21 1.004 . . . . 0.0 111.314 174.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 m -62.4 -37.64 86.56 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.494 -0.754 . . . . 0.0 112.732 170.345 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.5 mmm -68.89 -39.38 79.8 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.152 -0.967 . . . . 0.0 111.807 175.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.2 tt -66.08 -39.02 89.7 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.352 1.061 . . . . 0.0 111.071 174.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.47 -39.78 94.15 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 124.697 1.141 . . . . 0.0 112.336 175.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.8 m -69.43 -40.0 77.51 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.068 0.947 . . . . 0.0 111.206 175.091 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.442 HD21 ' CE2' ' A' ' 16' ' ' PHE . 3.9 tt -59.44 -42.93 93.06 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.34 1.056 . . . . 0.0 111.696 170.588 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.6 m -67.68 -37.83 82.87 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.222 1.009 . . . . 0.0 111.142 177.355 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -65.61 -40.81 93.05 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.41 1.084 . . . . 0.0 111.164 174.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -67.18 -41.7 85.49 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.952 1.301 . . . . 0.0 110.639 177.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.442 ' CE2' HD21 ' A' ' 12' ' ' LEU . 13.9 m-30 -61.19 -39.26 89.51 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.121 0.968 . . . . 0.0 113.302 170.298 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -59.61 -46.51 88.76 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.343 1.057 . . . . 0.0 110.857 171.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.96 -43.58 98.41 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.434 1.493 . . . . 0.0 112.059 -179.264 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -62.96 -37.1 85.76 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.401 1.481 . . . . 0.0 112.958 170.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -66.1 -41.03 91.19 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.051 0.941 . . . . 0.0 111.627 179.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.7 t -81.11 -19.6 43.24 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.35 0.871 . . . . 0.0 113.35 177.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -156.42 109.21 2.04 Favored Pre-proline 0 CA--C 1.557 1.222 0 CA-C-N 119.617 1.099 . . . . 0.0 111.008 -179.461 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -65.93 -25.51 52.24 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 123.617 2.878 . . . . 0.0 117.486 -160.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -95.01 -2.74 49.7 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.598 1.559 . . . . 0.0 113.419 172.152 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.9 t 44.61 -9.4 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.003 1 C-N-CA 133.402 4.681 . . . . 0.0 121.717 176.42 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.4 p-10 -40.88 -43.57 2.09 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 117.111 2.263 . . . . 0.0 117.111 -168.133 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.6 m -163.39 111.66 1.23 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 126.128 1.771 . . . . 0.0 109.241 164.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 172.13 61.36 0.04 OUTLIER Glycine 0 CA--C 1.528 0.859 0 C-N-CA 124.967 1.27 . . . . 0.0 113.442 175.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.0 p -58.83 -15.35 6.13 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 C-N-CA 126.374 1.87 . . . . 0.0 115.596 -172.038 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -150.18 23.5 1.11 Allowed Glycine 0 CA--C 1.532 1.114 0 O-C-N 120.935 -1.103 . . . . 0.0 115.104 176.529 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 88.8 m -154.09 133.68 7.52 Favored Pre-proline 0 N--CA 1.48 1.049 0 CA-C-N 118.722 1.261 . . . . 0.0 110.35 -179.133 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -75.86 43.48 1.12 Allowed 'Trans proline' 0 CA--C 1.549 1.274 0 C-N-CA 124.856 3.704 . . . . 0.0 113.205 176.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.394 0 O-C-N 119.273 -2.142 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 33.9 t . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.635 0.255 . . . . 0.0 110.56 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -174.82 -24.75 0.03 OUTLIER Glycine 0 CA--C 1.539 1.558 0 C-N-CA 125.651 1.595 . . . . 0.0 114.058 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -150.97 168.24 25.17 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.687 1.995 . . . . 0.0 110.449 172.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -51.55 -52.37 47.68 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.309 1.444 . . . . 0.0 112.502 -178.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.2 m -63.49 -33.61 75.95 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.093 0.957 . . . . 0.0 112.148 -176.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 95.0 m -72.08 -40.89 67.95 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.231 1.013 . . . . 0.0 111.301 174.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.3 m -62.37 -37.56 86.18 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.483 -0.761 . . . . 0.0 112.664 170.186 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.2 mmm -68.95 -39.1 79.71 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.057 -1.027 . . . . 0.0 111.82 175.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tt -66.29 -39.18 89.21 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.437 1.095 . . . . 0.0 111.098 174.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.5 -39.22 93.94 Favored Glycine 0 CA--C 1.53 0.977 0 C-N-CA 124.692 1.139 . . . . 0.0 112.253 175.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.6 m -68.19 -42.6 79.68 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.949 0.9 . . . . 0.0 110.836 174.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.461 HD21 ' CE2' ' A' ' 16' ' ' PHE . 3.4 tt -58.21 -42.89 87.2 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.369 1.068 . . . . 0.0 111.867 171.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.7 m -68.27 -38.18 81.48 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.506 1.122 . . . . 0.0 111.346 177.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.3 tp60 -64.69 -36.27 83.73 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.595 1.158 . . . . 0.0 110.887 173.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.87 -38.77 61.84 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.697 0.799 . . . . 0.0 111.999 177.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.461 ' CE2' HD21 ' A' ' 12' ' ' LEU . 14.9 m-30 -60.24 -36.85 78.68 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.89 0.876 . . . . 0.0 112.488 167.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.431 ' O ' HG22 ' A' ' 21' ' ' THR . 1.3 t60 -63.72 -51.27 65.72 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.99 0.916 . . . . 0.0 110.047 171.421 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -54.63 -44.08 72.87 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.765 1.226 . . . . 0.0 112.52 178.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -65.47 -36.34 83.59 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.671 1.188 . . . . 0.0 113.38 170.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -69.82 -43.1 72.72 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 120.95 -1.094 . . . . 0.0 112.276 -176.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.431 HG22 ' O ' ' A' ' 17' ' ' HIS . 3.2 t -82.96 -18.24 40.66 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 177.048 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -147.36 98.05 4.01 Favored Pre-proline 0 CA--C 1.553 1.095 0 O-C-N 121.363 -0.836 . . . . 0.0 112.941 171.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -72.79 -36.01 5.15 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 123.367 2.711 . . . . 0.0 115.404 -163.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -86.54 -10.5 53.89 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -175.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.1 m -154.14 105.0 2.67 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 125.566 1.547 . . . . 0.0 109.259 -178.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -70.27 61.19 0.21 Allowed 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.143 1.777 . . . . 0.0 113.792 -179.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.4 t -146.89 -1.89 0.65 Allowed 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 126.126 1.771 . . . . 0.0 113.458 -178.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -109.48 58.62 0.38 Allowed Glycine 0 N--CA 1.464 0.521 0 C-N-CA 126.396 1.951 . . . . 0.0 111.92 -163.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.4 m -45.81 -13.11 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 129.426 3.09 . . . . 0.0 116.702 177.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -141.12 41.06 1.29 Allowed Glycine 0 CA--C 1.538 1.523 0 C-N-CA 125.864 1.697 . . . . 0.0 114.646 175.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.1 m 40.38 74.98 0.64 Allowed Pre-proline 0 N--CA 1.486 1.328 0 C-N-CA 127.639 2.376 . . . . 0.0 114.735 -177.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.4 -19.9 24.01 Favored 'Trans proline' 0 CA--C 1.544 1.004 0 C-N-CA 124.359 3.373 . . . . 0.0 116.009 174.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 O-C-N 120.248 -1.533 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 34.1 t . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.619 0.247 . . . . 0.0 110.616 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -173.88 -24.41 0.02 OUTLIER Glycine 0 CA--C 1.539 1.541 0 C-N-CA 125.568 1.556 . . . . 0.0 114.123 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -150.77 168.15 25.27 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.649 1.979 . . . . 0.0 110.359 172.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -51.62 -52.41 47.9 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.258 1.423 . . . . 0.0 112.423 -178.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.5 m -63.58 -33.47 75.67 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.123 0.969 . . . . 0.0 112.203 -176.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.8 m -71.92 -40.73 68.59 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.182 0.993 . . . . 0.0 111.305 174.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.5 m -62.53 -36.86 83.93 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.51 -0.744 . . . . 0.0 112.724 169.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 36.1 mmt -69.39 -38.61 78.07 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.603 1.092 . . . . 0.0 111.94 175.17 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tt -65.93 -38.89 89.84 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.326 1.05 . . . . 0.0 111.173 173.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.36 -39.82 94.37 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 124.727 1.156 . . . . 0.0 112.191 174.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.4 m -67.84 -41.93 82.19 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.02 0.928 . . . . 0.0 110.897 175.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.433 HD21 ' CE2' ' A' ' 16' ' ' PHE . 4.2 tt -58.9 -42.87 90.62 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.44 1.096 . . . . 0.0 112.002 171.549 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.5 m -68.23 -38.49 81.92 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.101 0.961 . . . . 0.0 111.221 177.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -66.44 -37.49 85.27 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.894 1.278 . . . . 0.0 111.067 175.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -70.47 -40.66 73.52 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.441 1.496 . . . . 0.0 111.095 176.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.433 ' CE2' HD21 ' A' ' 12' ' ' LEU . 14.8 m-30 -61.0 -39.12 88.48 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.47 -0.769 . . . . 0.0 112.768 169.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -64.61 -44.1 91.65 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.169 1.387 . . . . 0.0 111.617 174.195 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -57.09 -56.72 18.08 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.848 1.259 . . . . 0.0 111.115 172.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -55.5 -33.82 64.07 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.13 1.372 . . . . 0.0 113.105 176.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -68.3 -41.84 80.33 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 124.221 1.008 . . . . 0.0 112.451 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 t -83.61 -22.1 32.34 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 112.818 0.674 . . . . 0.0 112.818 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -174.33 154.57 2.08 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 126.574 1.95 . . . . 0.0 112.091 168.642 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -70.14 -42.86 2.68 Favored 'Trans proline' 0 CA--C 1.542 0.887 0 C-N-CA 121.906 1.737 . . . . 0.0 113.187 174.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -87.91 -13.27 42.37 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 -172.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.8 t -67.3 -6.83 20.31 Favored 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 178.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -55.22 -16.74 3.5 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.499 1.52 . . . . 0.0 114.867 176.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.1 t -64.43 -14.02 54.52 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 168.317 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -146.84 -95.86 0.17 Allowed Glycine 0 CA--C 1.531 1.093 0 C-N-CA 125.546 1.546 . . . . 0.0 113.279 -178.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.7 p -156.48 -48.84 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 -172.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -176.74 63.93 0.09 OUTLIER Glycine 0 N--CA 1.467 0.726 0 O-C-N 121.594 -0.691 . . . . 0.0 113.169 -164.14 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 17.3 p -56.85 -30.07 7.19 Favored Pre-proline 0 N--CA 1.476 0.845 0 N-CA-C 117.35 2.352 . . . . 0.0 117.35 -176.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -82.18 -4.04 11.72 Favored 'Trans proline' 0 CA--C 1.545 1.058 0 CA-C-N 123.554 2.305 . . . . 0.0 113.542 177.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 O-C-N 119.97 -1.706 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 33.8 t . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.632 0.253 . . . . 0.0 110.62 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -174.6 -24.52 0.03 OUTLIER Glycine 0 CA--C 1.54 1.594 0 C-N-CA 125.65 1.595 . . . . 0.0 114.025 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -151.0 168.13 25.52 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 126.679 1.991 . . . . 0.0 110.458 172.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -51.48 -52.39 47.03 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.288 1.435 . . . . 0.0 112.568 -178.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.0 m -63.38 -33.66 76.03 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.154 0.982 . . . . 0.0 112.194 -176.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.9 m -72.01 -41.04 68.05 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.262 1.025 . . . . 0.0 111.355 174.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 m -62.26 -37.65 86.28 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.572 -0.705 . . . . 0.0 112.762 170.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.4 mmm -68.66 -39.18 80.75 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.146 -0.971 . . . . 0.0 111.927 175.368 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tt -66.23 -38.95 89.14 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.346 1.059 . . . . 0.0 111.082 174.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.23 -39.57 94.49 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 124.634 1.111 . . . . 0.0 112.357 174.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.3 m -68.25 -41.02 81.74 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.036 0.934 . . . . 0.0 111.035 174.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.4 HD21 ' CE2' ' A' ' 16' ' ' PHE . 3.5 tt -60.34 -41.63 93.99 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.478 1.111 . . . . 0.0 112.04 171.467 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.5 m -68.88 -38.57 79.75 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.002 0.921 . . . . 0.0 110.988 177.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.5 tp60 -65.26 -35.57 81.45 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.993 1.317 . . . . 0.0 111.546 173.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -70.96 -42.05 70.28 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.673 1.189 . . . . 0.0 110.967 176.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.4 ' CE2' HD21 ' A' ' 12' ' ' LEU . 16.8 m-30 -63.98 -37.7 88.37 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 170.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -60.9 -45.39 94.81 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.765 1.226 . . . . 0.0 110.84 172.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -54.73 -55.41 30.15 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.177 0.991 . . . . 0.0 111.673 172.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -71.52 -18.58 62.26 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.793 1.034 . . . . 0.0 113.793 -176.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -70.67 -43.76 68.46 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.525 1.13 . . . . 0.0 112.099 170.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.6 t -80.03 -24.67 40.59 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -177.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -163.44 151.27 11.19 Favored Pre-proline 0 CA--C 1.552 1.031 0 C-N-CA 124.229 1.012 . . . . 0.0 113.463 -173.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -80.2 -40.11 0.23 Allowed 'Trans proline' 0 CA--C 1.546 1.075 0 C-N-CA 123.335 2.69 . . . . 0.0 114.138 170.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -84.39 5.24 27.89 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 125.445 1.498 . . . . 0.0 113.719 178.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.4 t -39.48 -30.35 0.07 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 130.557 3.543 . . . . 0.0 117.589 -171.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -58.72 -14.34 8.31 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.728 1.211 . . . . 0.0 113.902 175.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.4 t -59.04 -17.74 28.29 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 166.281 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -168.43 -90.0 0.08 OUTLIER Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.745 1.641 . . . . 0.0 113.13 171.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.7 p -165.13 -28.52 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 C-N-CA 125.123 1.369 . . . . 0.0 114.335 -175.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -167.37 47.01 0.25 Allowed Glycine 0 N--CA 1.47 0.933 0 C-N-CA 125.588 1.565 . . . . 0.0 109.904 -169.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.9 p -148.47 122.19 4.74 Favored Pre-proline 0 N--CA 1.469 0.485 0 C-N-CA 124.964 1.306 . . . . 0.0 110.356 -145.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -71.78 -18.52 28.38 Favored 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 123.245 2.63 . . . . 0.0 114.268 -174.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 O-C-N 120.267 -1.521 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 5.1 t . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 161.1 -32.84 0.37 Allowed Glycine 0 N--CA 1.481 1.694 0 C-N-CA 124.255 0.931 . . . . 0.0 113.928 177.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.495 ' H ' ' HB ' ' A' ' 6' ' ' THR . 26.0 m-80 -137.8 172.22 13.27 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 128.531 2.732 . . . . 0.0 107.234 166.231 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.08 -54.17 49.75 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.873 0.761 . . . . 0.0 111.511 177.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.1 p -58.25 -40.36 81.56 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 126.462 1.905 . . . . 0.0 112.995 177.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.495 ' HB ' ' H ' ' A' ' 3' ' ' ASN . 23.9 m -66.21 -40.13 90.11 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.5 1.12 . . . . 0.0 111.019 176.176 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.93 -39.88 94.18 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.303 1.041 . . . . 0.0 112.256 173.764 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 92.1 mmm -68.0 -38.59 82.82 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.466 -0.771 . . . . 0.0 111.946 175.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.4 tt -66.52 -39.04 88.42 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.629 1.172 . . . . 0.0 111.129 174.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.39 -39.96 94.35 Favored Glycine 0 CA--C 1.528 0.879 0 C-N-CA 124.462 1.029 . . . . 0.0 112.31 174.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.3 m -68.33 -40.03 81.73 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.243 1.017 . . . . 0.0 110.994 175.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.1 tt -60.3 -44.05 95.73 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.078 0.951 . . . . 0.0 111.526 170.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.8 m -66.87 -38.12 85.72 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.224 -0.922 . . . . 0.0 111.012 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -63.24 -35.44 80.34 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.325 1.45 . . . . 0.0 111.28 172.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -72.18 -39.29 68.77 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.603 1.161 . . . . 0.0 111.93 177.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -66.88 -36.55 82.56 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 121.22 -0.925 . . . . 0.0 113.328 169.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -58.71 -45.66 89.05 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.687 1.195 . . . . 0.0 110.87 172.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -54.23 -61.31 2.39 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.684 1.193 . . . . 0.0 110.97 171.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -68.29 -17.75 64.36 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 -175.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -72.65 -50.2 26.68 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.245 1.418 . . . . 0.0 112.162 170.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.2 t -76.01 -21.35 56.97 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -174.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -165.78 139.92 3.76 Favored Pre-proline 0 CA--C 1.547 0.828 0 C-N-CA 125.797 1.639 . . . . 0.0 110.426 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -66.78 -25.64 45.8 Favored 'Trans proline' 0 CA--C 1.543 0.949 0 C-N-CA 122.438 2.092 . . . . 0.0 114.252 173.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -114.73 -0.53 13.53 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 -169.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.1 t -67.82 2.26 2.08 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 115.027 1.492 . . . . 0.0 115.027 -178.36 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -50.96 -19.79 1.14 Allowed 'General case' 0 CA--C 1.554 1.115 0 O-C-N 120.528 -1.357 . . . . 0.0 113.683 165.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.7 t -65.52 -15.97 63.21 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 115.552 1.686 . . . . 0.0 115.552 168.053 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -154.07 -99.8 0.18 Allowed Glycine 0 CA--C 1.535 1.305 0 C-N-CA 126.476 1.988 . . . . 0.0 112.155 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.5 p -162.37 -38.01 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 N-CA-C 115.249 1.574 . . . . 0.0 115.249 -177.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -158.51 48.88 0.42 Allowed Glycine 0 N--CA 1.47 0.93 0 C-N-CA 125.01 1.29 . . . . 0.0 110.324 -173.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.4 p -148.72 142.55 16.3 Favored Pre-proline 0 CA--C 1.537 0.472 0 C-N-CA 125.166 1.386 . . . . 0.0 111.551 -147.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -69.59 -30.99 22.16 Favored 'Trans proline' 0 CA--C 1.542 0.875 0 C-N-CA 122.296 1.998 . . . . 0.0 113.078 -176.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 O-C-N 120.4 -1.437 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 32.9 t . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.569 0.223 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -174.94 -25.53 0.03 OUTLIER Glycine 0 CA--C 1.539 1.556 0 C-N-CA 125.566 1.555 . . . . 0.0 113.966 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -150.35 168.1 25.09 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.718 2.007 . . . . 0.0 110.462 171.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -51.57 -51.83 52.2 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.47 1.508 . . . . 0.0 112.539 -177.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.6 m -64.37 -33.12 75.12 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.446 1.098 . . . . 0.0 112.383 -177.179 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 96.1 m -71.92 -40.21 68.94 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.058 0.943 . . . . 0.0 111.274 174.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.6 m -62.17 -36.98 83.53 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.575 -0.703 . . . . 0.0 112.762 169.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.2 mmt -68.15 -40.33 82.43 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.448 1.022 . . . . 0.0 111.855 174.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tt -66.13 -39.02 89.55 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.423 1.089 . . . . 0.0 111.091 175.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.46 -39.71 94.16 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 124.745 1.164 . . . . 0.0 112.148 175.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.0 m -68.08 -42.28 80.62 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.053 0.941 . . . . 0.0 110.967 175.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.427 HD21 ' CE2' ' A' ' 16' ' ' PHE . 4.0 tt -58.41 -43.4 88.6 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.518 1.127 . . . . 0.0 111.87 171.706 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.7 m -68.03 -38.31 82.37 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.318 1.047 . . . . 0.0 111.252 177.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.6 tp60 -66.5 -36.83 83.7 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.71 1.204 . . . . 0.0 111.296 175.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.06 -46.14 75.27 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.018 1.327 . . . . 0.0 110.426 173.509 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.427 ' CE2' HD21 ' A' ' 12' ' ' LEU . 14.9 m-30 -59.42 -39.01 82.14 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.57 -0.706 . . . . 0.0 112.809 173.456 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -63.7 -45.73 88.7 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.371 1.469 . . . . 0.0 111.251 174.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -58.83 -56.42 22.4 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.392 1.077 . . . . 0.0 111.605 174.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -57.78 -31.45 66.55 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.227 1.011 . . . . 0.0 112.679 177.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -69.23 -47.58 64.32 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.43 1.092 . . . . 0.0 112.35 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.8 t -75.29 -27.48 59.37 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.035 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -166.58 125.48 1.1 Allowed Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 126.04 1.736 . . . . 0.0 110.686 177.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -62.05 -27.37 79.17 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 122.587 2.191 . . . . 0.0 114.348 -177.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -100.76 -4.45 28.07 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.606 1.562 . . . . 0.0 114.862 -176.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 t -79.11 -1.86 37.94 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -177.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -56.26 -18.15 9.65 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 116.021 1.86 . . . . 0.0 116.021 -167.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.1 t -77.85 -7.43 56.66 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 115.08 1.511 . . . . 0.0 115.08 171.297 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -131.87 -99.49 0.77 Allowed Glycine 0 CA--C 1.533 1.217 0 C-N-CA 126.246 1.879 . . . . 0.0 112.807 -172.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.9 p -166.48 -44.0 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 -176.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 178.66 59.62 0.07 OUTLIER Glycine 0 N--CA 1.47 0.956 0 CA-C-N 119.038 0.835 . . . . 0.0 113.273 -164.142 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.0 t -151.83 146.98 19.22 Favored Pre-proline 0 N--CA 1.476 0.836 0 C-N-CA 125.06 1.344 . . . . 0.0 111.812 -170.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -62.96 -24.44 74.06 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.5 2.134 . . . . 0.0 113.065 172.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.269 0 O-C-N 120.37 -1.456 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.409 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -58.24 -38.08 88.91 Favored Glycine 0 CA--C 1.538 1.508 0 O-C-N 121.405 -0.809 . . . . 0.0 114.289 177.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -162.13 171.65 17.1 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.801 2.04 . . . . 0.0 110.602 174.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 tt -53.66 -51.66 62.44 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.802 1.641 . . . . 0.0 112.296 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.7 m -63.74 -30.78 71.84 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.058 0.943 . . . . 0.0 112.549 -178.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 89.1 m -72.28 -39.75 68.09 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.535 1.134 . . . . 0.0 111.257 173.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 83.1 m -59.35 -39.0 81.81 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 166.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 92.6 mmm -68.56 -38.05 80.44 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 119.504 1.047 . . . . 0.0 112.011 176.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.4 tt -66.5 -39.24 88.61 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.42 1.088 . . . . 0.0 111.035 174.401 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.23 -39.21 94.36 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 124.736 1.16 . . . . 0.0 112.286 174.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.5 m -69.65 -40.44 76.47 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.006 0.922 . . . . 0.0 111.087 175.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.417 HD21 ' CE2' ' A' ' 16' ' ' PHE . 4.0 tt -59.13 -42.64 91.12 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.464 1.106 . . . . 0.0 111.815 170.655 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.5 m -67.67 -37.79 82.84 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.2 1.0 . . . . 0.0 111.036 177.05 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -66.36 -39.74 89.32 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.64 1.176 . . . . 0.0 111.423 174.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -67.45 -41.4 84.76 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.607 1.563 . . . . 0.0 110.252 177.044 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.417 ' CE2' HD21 ' A' ' 12' ' ' LEU . 15.4 m-30 -63.13 -38.6 91.81 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.396 -0.815 . . . . 0.0 112.995 170.472 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -61.68 -45.32 94.51 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.839 1.255 . . . . 0.0 111.309 172.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -55.31 -53.29 58.01 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.422 1.489 . . . . 0.0 111.881 173.21 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -68.65 -23.14 64.38 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 177.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -69.79 -44.14 70.67 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.763 0.825 . . . . 0.0 111.785 171.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.5 t -81.4 -21.24 39.11 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -148.69 101.34 3.47 Favored Pre-proline 0 CA--C 1.547 0.834 0 C-N-CA 124.891 1.276 . . . . 0.0 112.182 173.15 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -74.93 -30.18 7.56 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 124.243 3.296 . . . . 0.0 114.615 -168.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -83.71 -8.08 59.34 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.258 1.423 . . . . 0.0 114.41 -170.365 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.7 m 149.92 129.14 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.346 1 C-N-CA 132.088 4.155 . . . . 0.0 108.835 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -139.08 142.58 38.14 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.919 1.288 . . . . 0.0 109.754 167.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.9 t -127.41 -3.07 6.18 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 114.856 1.428 . . . . 0.0 114.856 -168.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -138.34 -82.46 0.1 OUTLIER Glycine 0 CA--C 1.528 0.9 0 C-N-CA 124.327 0.965 . . . . 0.0 113.472 -175.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.9 t -143.29 -64.97 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 125.371 1.469 . . . . 0.0 109.085 178.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -124.28 52.14 0.8 Allowed Glycine 0 N--CA 1.47 0.906 0 C-N-CA 127.28 2.371 . . . . 0.0 109.273 175.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.3 m -132.47 81.74 59.18 Favored Pre-proline 0 N--CA 1.475 0.797 0 C-N-CA 124.493 1.117 . . . . 0.0 110.196 -149.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -68.49 149.23 74.37 Favored 'Trans proline' 0 CA--C 1.537 0.639 0 C-N-CA 122.872 2.381 . . . . 0.0 112.945 -168.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 O-C-N 120.847 -1.158 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 51.7 t . . . . . 0 N--CA 1.485 1.285 0 N-CA-C 110.834 -0.062 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -143.01 7.97 2.16 Favored Glycine 0 CA--C 1.539 1.584 0 C-N-CA 124.464 1.03 . . . . 0.0 115.004 172.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -160.83 160.3 30.95 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.891 1.676 . . . . 0.0 111.141 -175.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.9 tt -56.87 -54.09 50.46 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.56 1.144 . . . . 0.0 112.223 -173.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.4 m -64.36 -32.99 74.82 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.96 0.904 . . . . 0.0 111.872 -172.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 53.1 m -72.53 -42.82 64.32 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.663 0.785 . . . . 0.0 111.195 174.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.7 m -63.59 -34.65 78.29 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 171.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.2 mmt -68.65 -39.46 80.68 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 120.016 1.28 . . . . 0.0 111.773 173.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.2 tt -66.02 -38.94 89.7 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.192 0.997 . . . . 0.0 111.1 174.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.55 -39.64 93.98 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 124.823 1.202 . . . . 0.0 112.217 175.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.4 m -67.98 -42.31 81.0 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.82 0.848 . . . . 0.0 110.946 174.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.456 HD21 ' CE2' ' A' ' 16' ' ' PHE . 3.9 tt -58.6 -43.46 89.54 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.362 1.065 . . . . 0.0 111.881 171.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 91.8 m -67.76 -37.8 82.59 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.543 1.137 . . . . 0.0 111.291 178.119 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.9 tp60 -64.58 -39.32 93.52 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.634 1.174 . . . . 0.0 110.606 173.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.41 -37.29 68.7 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.321 -0.862 . . . . 0.0 111.522 178.279 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.456 ' CE2' HD21 ' A' ' 12' ' ' LEU . 14.4 m-30 -61.34 -39.01 88.98 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.331 -0.856 . . . . 0.0 112.834 168.338 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.18 -46.32 89.46 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.531 1.132 . . . . 0.0 110.874 173.799 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -59.26 -49.52 77.51 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 125.05 1.34 . . . . 0.0 111.682 177.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -61.23 -33.15 73.03 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 172.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -70.2 -44.26 69.03 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.265 1.026 . . . . 0.0 112.252 -176.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.5 t -71.14 -29.62 65.46 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 111.586 0.217 . . . . 0.0 111.586 -178.445 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -165.18 127.33 1.49 Allowed Pre-proline 0 CA--C 1.547 0.841 0 C-N-CA 126.549 1.94 . . . . 0.0 109.807 172.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -64.22 -31.84 63.35 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 122.133 1.889 . . . . 0.0 113.65 -177.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -89.27 -10.26 47.55 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.323 1.449 . . . . 0.0 114.485 -178.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -80.03 -6.08 56.96 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 -177.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -58.89 -17.84 27.77 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 -168.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.6 t -70.13 -10.88 60.19 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 169.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -130.88 -100.28 0.85 Allowed Glycine 0 CA--C 1.532 1.106 0 C-N-CA 127.184 2.326 . . . . 0.0 111.007 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.6 p -160.65 -43.82 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 N-CA-C 116.134 1.902 . . . . 0.0 116.134 175.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -173.9 62.9 0.12 Allowed Glycine 0 N--CA 1.472 1.036 0 CA-C-N 119.514 1.052 . . . . 0.0 114.098 -161.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.0 t -154.28 147.68 18.38 Favored Pre-proline 0 N--CA 1.478 0.937 0 C-N-CA 125.113 1.365 . . . . 0.0 111.75 -174.272 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -62.85 -25.72 74.54 Favored 'Trans proline' 0 CA--C 1.543 0.955 0 C-N-CA 122.121 1.881 . . . . 0.0 112.769 172.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.253 0 O-C-N 120.343 -1.473 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 33.7 t . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.66 0.267 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -174.66 -24.61 0.03 OUTLIER Glycine 0 CA--C 1.539 1.579 0 C-N-CA 125.726 1.631 . . . . 0.0 114.152 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -150.99 168.18 25.34 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.68 1.992 . . . . 0.0 110.454 172.24 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -51.48 -52.39 47.03 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.318 1.447 . . . . 0.0 112.532 -178.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.1 m -63.5 -33.58 75.89 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.144 0.978 . . . . 0.0 112.168 -176.337 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 95.1 m -72.1 -40.9 67.85 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.209 1.004 . . . . 0.0 111.377 174.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 m -62.31 -37.62 86.26 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.531 -0.73 . . . . 0.0 112.714 170.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.4 mmm -68.84 -38.89 80.12 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.324 0.966 . . . . 0.0 111.875 175.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.2 tt -66.4 -38.81 88.32 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.313 1.045 . . . . 0.0 111.144 174.397 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.66 -40.0 93.9 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 124.664 1.126 . . . . 0.0 112.304 175.142 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.6 m -68.6 -39.55 80.82 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.073 0.949 . . . . 0.0 111.099 175.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.2 tt -61.23 -42.97 99.54 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.949 0.9 . . . . 0.0 111.781 170.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 91.1 m -66.81 -38.08 85.77 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.005 -1.059 . . . . 0.0 110.666 178.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -65.47 -36.92 85.33 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.832 1.253 . . . . 0.0 111.411 172.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -65.6 -43.18 90.43 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.835 1.254 . . . . 0.0 110.386 175.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -65.42 -40.14 92.98 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 172.265 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -55.09 -47.1 75.39 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.679 1.192 . . . . 0.0 110.505 170.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 tmmm? -66.2 -48.12 71.65 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 125.831 1.652 . . . . 0.0 112.017 -175.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -64.76 -19.1 65.62 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.638 1.175 . . . . 0.0 113.444 173.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -83.29 -46.87 12.13 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.15 0.98 . . . . 0.0 113.103 173.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.7 t -85.72 -14.81 44.23 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -172.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.459 ' CD2' ' HD2' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -153.57 171.11 7.29 Favored Pre-proline 0 CA--C 1.55 0.973 0 C-N-CA 126.612 1.965 . . . . 0.0 109.808 174.009 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.459 ' HD2' ' CD2' ' A' ' 22' ' ' PHE . 8.3 Cg_exo -61.54 -55.95 0.99 Allowed 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.077 1.851 . . . . 0.0 111.515 172.406 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -164.77 -40.51 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 115.29 1.589 . . . . 0.0 115.29 -177.255 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.5 m -46.16 -65.5 0.54 Allowed 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 117.189 2.292 . . . . 0.0 117.189 -138.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -78.6 68.5 4.6 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.905 1.282 . . . . 0.0 111.729 -178.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.4 t -40.19 -18.59 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 120.979 3.696 . . . . 0.0 120.979 -154.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.23 -48.09 60.66 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 125.031 1.3 . . . . 0.0 114.001 169.275 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.7 m -129.09 -19.07 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 126.547 1.939 . . . . 0.0 113.567 -175.355 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.5 -43.75 2.77 Favored Glycine 0 CA--C 1.523 0.547 0 C-N-CA 127.604 2.526 . . . . 0.0 111.209 173.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.0 p -65.45 144.32 98.93 Favored Pre-proline 0 N--CA 1.471 0.593 0 C-N-CA 126.066 1.746 . . . . 0.0 112.651 -176.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -80.05 -3.17 12.56 Favored 'Trans proline' 0 CA--C 1.545 1.061 0 C-N-CA 123.442 2.761 . . . . 0.0 114.547 -165.032 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 O-C-N 120.051 -1.656 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 N--CA 1.471 0.588 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.7 m -63.27 -33.67 76.02 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.126 0.97 . . . . 0.0 112.198 -176.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.5 m -72.02 -41.06 67.97 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.213 1.005 . . . . 0.0 111.366 174.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 m -62.36 -37.24 84.95 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.564 -0.71 . . . . 0.0 112.728 170.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.5 mmm -69.27 -39.82 78.16 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.381 0.992 . . . . 0.0 111.866 175.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.1 tt -65.74 -38.64 89.67 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.373 1.069 . . . . 0.0 111.155 174.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.36 -43.99 94.14 Favored Glycine 0 CA--C 1.525 0.704 0 C-N-CA 124.556 1.074 . . . . 0.0 111.736 174.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.4 m -65.73 -39.89 91.61 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.793 0.837 . . . . 0.0 110.939 176.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 tt -59.62 -40.12 86.52 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.324 1.049 . . . . 0.0 112.152 170.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 84.9 m -69.84 -38.54 76.54 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.934 0.893 . . . . 0.0 111.187 178.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -64.55 -38.03 89.59 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.634 1.173 . . . . 0.0 111.994 172.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -68.26 -42.16 80.03 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 124.499 1.119 . . . . 0.0 110.926 178.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.5 m-30 -65.72 -38.39 89.05 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.641 0.777 . . . . 0.0 113.067 170.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -58.19 -47.49 83.27 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.909 1.231 . . . . 0.0 110.328 173.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -54.28 -59.66 4.38 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.466 1.107 . . . . 0.0 111.104 174.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 . . . . . 0 CA--C 1.535 0.391 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -173.306 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 N--CA 1.475 0.777 0 CA-C-O 120.939 0.4 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 m -66.0 -33.54 76.04 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.821 1.248 . . . . 0.0 112.24 -178.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 51.3 m -65.19 -40.8 94.7 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.404 0.682 . . . . 0.0 110.811 172.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 t -67.25 -39.06 86.09 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.925 -0.484 . . . . 0.0 112.123 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.3 mmm -66.6 -39.01 88.19 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.657 0.783 . . . . 0.0 111.955 174.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.4 tt -66.84 -39.37 87.61 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.397 1.079 . . . . 0.0 111.128 174.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.53 -39.15 95.42 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 124.502 1.048 . . . . 0.0 112.244 174.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.1 m -68.61 -41.33 79.69 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.207 1.003 . . . . 0.0 111.104 175.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 tt -60.41 -41.08 93.15 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.475 1.11 . . . . 0.0 112.046 171.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 86.6 m -69.36 -38.81 78.25 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.045 0.938 . . . . 0.0 110.958 177.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -64.84 -35.55 81.49 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.888 1.275 . . . . 0.0 111.448 172.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -71.09 -43.4 67.8 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.668 1.187 . . . . 0.0 111.003 177.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -62.07 -39.29 91.91 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.377 0.671 . . . . 0.0 112.796 170.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -61.62 -46.12 91.17 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.7 1.2 . . . . 0.0 110.857 174.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -55.34 -54.84 38.52 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.043 1.337 . . . . 0.0 111.558 174.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 . . . . . 0 CA--C 1.542 0.659 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 178.107 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 N--CA 1.469 0.525 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.3 m -63.5 -35.64 81.12 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.224 1.01 . . . . 0.0 112.046 -176.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 97.4 m -69.44 -41.22 76.57 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.917 0.887 . . . . 0.0 111.139 173.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.9 m -65.21 -36.52 84.43 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.589 -0.694 . . . . 0.0 112.054 175.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 35.1 mmt -69.18 -39.13 78.89 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.911 0.884 . . . . 0.0 111.872 174.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tt -65.65 -39.04 90.98 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.066 0.947 . . . . 0.0 111.043 173.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.67 -39.31 93.71 Favored Glycine 0 CA--C 1.53 1.021 0 C-N-CA 124.669 1.128 . . . . 0.0 112.331 174.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.9 m -66.94 -42.66 84.89 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.185 0.994 . . . . 0.0 110.759 174.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.423 HD21 ' CE2' ' A' ' 16' ' ' PHE . 3.7 tt -59.91 -42.23 93.44 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.603 1.161 . . . . 0.0 112.017 172.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.3 m -69.27 -39.43 78.4 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.183 0.993 . . . . 0.0 111.246 178.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -62.53 -38.33 89.55 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.664 1.586 . . . . 0.0 110.99 172.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -74.64 -37.7 62.69 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.035 0.934 . . . . 0.0 112.095 179.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.423 ' CE2' HD21 ' A' ' 12' ' ' LEU . 15.5 m-30 -63.09 -40.22 97.03 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.18 -0.95 . . . . 0.0 112.54 167.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -61.58 -44.75 96.45 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.329 1.452 . . . . 0.0 110.83 175.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -54.17 -57.99 9.04 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.677 1.591 . . . . 0.0 112.974 169.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 . . . . . 0 N--CA 1.47 0.549 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 -177.299 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.1 tt . . . . . 0 N--CA 1.469 0.522 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.8 m -63.4 -35.38 80.22 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.317 1.047 . . . . 0.0 111.895 -175.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 97.2 m -69.17 -41.08 77.69 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.06 0.944 . . . . 0.0 111.082 172.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.8 m -65.34 -37.91 88.51 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 118.733 0.697 . . . . 0.0 112.281 175.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.9 mmm -67.98 -39.51 83.27 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.355 -0.841 . . . . 0.0 111.941 174.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.2 tt -65.88 -38.97 90.2 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.034 0.934 . . . . 0.0 111.21 174.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.28 -43.2 95.6 Favored Glycine 0 CA--C 1.526 0.733 0 C-N-CA 124.711 1.148 . . . . 0.0 111.789 175.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.4 m -68.95 -38.51 79.48 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.724 1.21 . . . . 0.0 111.384 176.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.476 HD21 ' CE2' ' A' ' 16' ' ' PHE . 2.7 tt -57.27 -40.91 78.66 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.891 0.876 . . . . 0.0 111.443 168.31 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.2 m -69.44 -37.83 77.56 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.093 0.957 . . . . 0.0 111.513 177.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -63.82 -40.41 96.55 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.608 -0.682 . . . . 0.0 110.946 172.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -72.69 -35.3 67.62 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.448 0.699 . . . . 0.0 112.166 -178.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.476 ' CE2' HD21 ' A' ' 12' ' ' LEU . 12.8 m-30 -62.5 -37.13 84.82 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.303 1.041 . . . . 0.0 112.835 165.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -63.26 -48.58 77.57 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.08 0.855 . . . . 0.0 110.568 171.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -58.52 -40.31 82.55 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.792 1.637 . . . . 0.0 113.07 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 . . . . . 0 N--CA 1.472 0.666 0 C-N-CA 123.385 0.674 . . . . 0.0 112.797 168.911 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.3 tt . . . . . 0 N--CA 1.472 0.673 0 CA-C-O 121.306 0.574 . . . . 0.0 110.742 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.6 p -56.94 -36.42 70.23 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.84 1.656 . . . . 0.0 113.425 173.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.0 m -67.17 -41.63 85.64 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.192 0.997 . . . . 0.0 110.839 174.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 80.6 m -61.86 -38.98 90.28 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 170.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.4 mmm -68.17 -38.24 81.86 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.38 0.991 . . . . 0.0 112.016 176.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.4 tt -66.88 -39.44 87.5 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.609 1.164 . . . . 0.0 111.056 174.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.87 -40.07 95.33 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 124.602 1.096 . . . . 0.0 112.167 174.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.5 m -68.3 -40.46 81.73 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.249 1.019 . . . . 0.0 110.976 175.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.6 tt -60.08 -45.05 94.19 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.092 0.957 . . . . 0.0 111.545 171.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.1 m -66.55 -38.07 86.34 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.221 1.008 . . . . 0.0 111.088 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.5 tp60 -61.83 -39.27 91.23 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.913 1.285 . . . . 0.0 110.69 171.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -38.74 86.86 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.742 1.217 . . . . 0.0 111.734 176.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -66.88 -38.03 85.54 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 171.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -59.73 -44.76 93.63 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.428 1.091 . . . . 0.0 111.088 170.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -57.75 -54.29 48.61 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.114 1.366 . . . . 0.0 111.49 173.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 . . . . . 0 N--CA 1.473 0.686 0 C-N-CA 123.757 0.823 . . . . 0.0 112.292 177.39 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 N--CA 1.47 0.575 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.1 m -63.04 -35.68 81.04 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.186 0.994 . . . . 0.0 111.999 -176.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 98.8 m -69.84 -41.3 75.1 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.969 0.908 . . . . 0.0 111.214 173.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.3 m -64.97 -37.19 86.84 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.642 -0.661 . . . . 0.0 112.147 175.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 92.0 mmm -68.42 -39.42 81.58 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.797 0.839 . . . . 0.0 111.863 174.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.4 tt -65.89 -39.22 90.43 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.146 0.978 . . . . 0.0 111.143 174.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.5 -39.02 93.89 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.732 1.158 . . . . 0.0 112.335 175.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.6 m -68.71 -40.67 79.84 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.04 0.936 . . . . 0.0 111.04 174.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 tt -60.95 -41.27 95.99 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.417 1.087 . . . . 0.0 112.091 171.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.4 m -68.54 -39.15 81.24 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.073 0.949 . . . . 0.0 110.703 177.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -65.51 -36.45 83.87 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.875 1.27 . . . . 0.0 111.576 172.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -68.68 -43.09 76.85 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.598 1.159 . . . . 0.0 110.479 177.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -63.38 -42.51 98.85 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 171.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -56.26 -46.97 79.45 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.434 1.494 . . . . 0.0 110.719 173.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 tmmm? -62.95 -53.74 49.34 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 125.706 1.602 . . . . 0.0 110.722 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 . . . . . 0 CA--C 1.537 0.452 0 C-N-CA 123.622 0.769 . . . . 0.0 112.9 177.699 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.9 tt . . . . . 0 N--CA 1.469 0.497 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.1 m -63.64 -35.37 80.31 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.218 1.007 . . . . 0.0 111.94 -175.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 98.0 m -68.91 -40.8 78.89 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.952 0.901 . . . . 0.0 111.124 172.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.3 m -65.29 -37.75 88.11 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.571 -0.706 . . . . 0.0 112.3 175.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.9 mmt -67.25 -39.59 86.16 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.348 -0.845 . . . . 0.0 111.871 174.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.4 tt -66.44 -39.2 88.76 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.185 0.994 . . . . 0.0 111.126 175.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.95 -38.81 93.09 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 124.82 1.2 . . . . 0.0 112.312 175.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.1 m -68.77 -41.24 79.11 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.982 0.913 . . . . 0.0 111.013 174.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.422 HD21 ' CE2' ' A' ' 16' ' ' PHE . 3.9 tt -59.56 -42.59 92.74 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.435 1.094 . . . . 0.0 111.906 171.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.0 m -68.44 -38.65 81.35 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.271 1.028 . . . . 0.0 111.126 177.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -64.3 -37.36 87.21 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.392 1.077 . . . . 0.0 111.192 173.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -73.05 -38.43 66.5 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.937 0.895 . . . . 0.0 111.641 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.422 ' CE2' HD21 ' A' ' 12' ' ' LEU . 16.6 m-30 -62.14 -37.0 83.52 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.305 -0.872 . . . . 0.0 112.8 167.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -48.08 81.52 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 119.444 1.02 . . . . 0.0 110.704 172.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -56.74 -49.52 74.97 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.965 1.306 . . . . 0.0 111.878 177.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 . . . . . 0 CA--C 1.539 0.547 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 177.326 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 N--CA 1.469 0.49 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.3 m -63.24 -35.56 80.74 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.258 1.023 . . . . 0.0 111.959 -176.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 98.6 m -69.86 -41.28 75.03 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.021 0.928 . . . . 0.0 111.168 173.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.3 m -64.93 -37.17 86.75 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.561 -0.712 . . . . 0.0 112.15 175.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 92.1 mmm -68.62 -39.21 80.91 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.761 0.824 . . . . 0.0 111.861 174.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tt -66.0 -39.15 90.04 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.129 0.972 . . . . 0.0 111.045 174.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.54 -39.42 93.94 Favored Glycine 0 CA--C 1.53 0.995 0 C-N-CA 124.731 1.158 . . . . 0.0 112.301 175.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.2 m -68.6 -40.42 80.46 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.997 0.919 . . . . 0.0 110.981 175.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.8 tt -60.84 -42.93 98.76 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.155 0.982 . . . . 0.0 111.755 171.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.3 m -67.45 -39.06 85.35 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.25 -0.907 . . . . 0.0 110.719 178.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 50.7 tp60 -63.13 -34.99 78.81 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.847 1.259 . . . . 0.0 111.08 171.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -69.44 -44.31 71.53 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 124.545 1.138 . . . . 0.0 111.313 177.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -62.7 -38.48 90.57 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 171.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -64.76 -43.24 93.9 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.03 1.332 . . . . 0.0 111.547 175.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -55.64 -51.16 68.16 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.204 1.402 . . . . 0.0 111.819 171.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 . . . . . 0 N--CA 1.472 0.668 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 175.235 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 tm? . . . . . 0 N--CA 1.474 0.729 0 CA-C-O 120.83 0.348 . . . . 0.0 111.927 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.3 m -65.02 -33.15 75.36 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.52 1.128 . . . . 0.0 112.155 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.6 m -65.91 -41.36 91.54 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.958 0.903 . . . . 0.0 111.149 173.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -67.88 -37.3 81.6 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.367 1.067 . . . . 0.0 112.293 175.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.1 mmm -67.15 -39.35 86.51 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.503 -0.748 . . . . 0.0 111.873 173.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tt -66.54 -39.06 88.37 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.486 1.114 . . . . 0.0 111.136 174.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.07 -38.94 94.47 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 124.48 1.038 . . . . 0.0 112.374 174.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.1 m -68.64 -42.09 78.48 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.025 0.93 . . . . 0.0 110.819 174.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.45 HD21 ' CE2' ' A' ' 16' ' ' PHE . 3.2 tt -58.6 -42.14 87.45 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.358 1.063 . . . . 0.0 111.928 171.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.5 m -68.48 -38.53 81.1 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.407 1.083 . . . . 0.0 111.09 177.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.2 tp60 -64.58 -35.59 81.5 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.783 1.233 . . . . 0.0 111.124 173.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.458 ' HA ' ' HE3' ' A' ' 18' ' ' LYS . 2.8 t70 -73.06 -40.39 65.1 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.366 1.066 . . . . 0.0 111.808 177.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.45 ' CE2' HD21 ' A' ' 12' ' ' LEU . 15.8 m-30 -62.52 -36.06 81.38 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.491 1.116 . . . . 0.0 112.966 169.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -64.93 -47.7 76.76 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.346 1.058 . . . . 0.0 110.337 173.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.458 ' HE3' ' HA ' ' A' ' 15' ' ' ASP . 6.8 mtmt -60.52 -41.84 95.2 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.034 0.934 . . . . 0.0 112.759 175.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 . . . . . 0 N--CA 1.472 0.673 0 C-N-CA 123.268 0.627 . . . . 0.0 112.661 169.507 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 N--CA 1.466 0.362 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.9 m -64.95 -33.55 76.31 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.624 1.169 . . . . 0.0 112.313 -176.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 75.2 m -69.7 -41.81 74.9 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.095 0.958 . . . . 0.0 110.709 173.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.22 -35.12 77.94 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 169.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.9 mmt -68.97 -39.69 79.3 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.585 1.084 . . . . 0.0 111.732 174.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tt -65.82 -39.09 90.52 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.421 1.088 . . . . 0.0 111.006 174.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.55 -39.0 93.81 Favored Glycine 0 CA--C 1.529 0.937 0 C-N-CA 124.775 1.179 . . . . 0.0 112.35 175.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.0 m -68.93 -41.87 77.53 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.999 0.919 . . . . 0.0 110.972 174.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.436 HD21 ' CE2' ' A' ' 16' ' ' PHE . 3.6 tt -58.61 -42.64 88.62 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.455 1.102 . . . . 0.0 111.867 171.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.5 m -68.35 -38.46 81.49 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.368 1.067 . . . . 0.0 111.199 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -65.29 -34.86 79.35 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.446 1.098 . . . . 0.0 111.11 173.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -74.41 -39.51 62.59 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.827 0.851 . . . . 0.0 111.649 177.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.436 ' CE2' HD21 ' A' ' 12' ' ' LEU . 16.3 m-30 -60.65 -36.98 80.01 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.375 -0.828 . . . . 0.0 112.548 167.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -67.21 -45.17 77.62 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.772 1.229 . . . . 0.0 111.3 174.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -58.95 -41.75 88.2 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.607 1.563 . . . . 0.0 112.782 173.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 . . . . . 0 N--CA 1.472 0.628 0 C-N-CA 123.948 0.899 . . . . 0.0 112.031 169.067 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.8 tt . . . . . 0 N--CA 1.47 0.553 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.3 m -63.87 -30.66 71.73 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.095 0.958 . . . . 0.0 112.531 -178.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 87.7 m -72.34 -39.68 67.98 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.468 1.107 . . . . 0.0 111.264 173.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 83.2 m -59.51 -39.05 82.56 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 166.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.9 mmm -68.31 -38.49 81.66 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.53 1.059 . . . . 0.0 111.975 176.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.5 tt -66.38 -39.52 89.14 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.445 1.098 . . . . 0.0 111.062 174.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.36 -39.45 94.24 Favored Glycine 0 CA--C 1.53 0.991 0 C-N-CA 124.547 1.07 . . . . 0.0 112.371 175.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.6 m -68.93 -40.78 78.84 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.05 0.94 . . . . 0.0 111.056 175.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.1 tt -59.21 -44.91 92.26 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.089 0.956 . . . . 0.0 111.423 171.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 92.1 m -66.95 -38.12 85.54 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.408 1.083 . . . . 0.0 111.056 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.3 tp60 -62.99 -33.89 76.36 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.839 1.256 . . . . 0.0 110.893 171.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.52 -39.76 64.54 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.991 0.916 . . . . 0.0 112.634 176.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -62.97 -37.23 86.28 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.548 -0.72 . . . . 0.0 112.795 168.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -63.04 -46.26 88.41 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.329 1.052 . . . . 0.0 111.0 171.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -56.68 -45.9 81.45 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.996 1.718 . . . . 0.0 112.589 175.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 . . . . . 0 N--CA 1.473 0.675 0 C-N-CA 123.398 0.679 . . . . 0.0 112.629 171.122 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 N--CA 1.47 0.528 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.1 m -63.36 -33.67 76.05 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.163 0.985 . . . . 0.0 112.113 -176.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.9 m -72.09 -41.0 67.81 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.21 1.004 . . . . 0.0 111.314 174.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 m -62.4 -37.64 86.56 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.494 -0.754 . . . . 0.0 112.732 170.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.5 mmm -68.89 -39.38 79.8 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.152 -0.967 . . . . 0.0 111.807 175.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.2 tt -66.08 -39.02 89.7 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.352 1.061 . . . . 0.0 111.071 174.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.47 -39.78 94.15 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 124.697 1.141 . . . . 0.0 112.336 175.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.8 m -69.43 -40.0 77.51 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.068 0.947 . . . . 0.0 111.206 175.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.442 HD21 ' CE2' ' A' ' 16' ' ' PHE . 3.9 tt -59.44 -42.93 93.06 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.34 1.056 . . . . 0.0 111.696 170.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.6 m -67.68 -37.83 82.87 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.222 1.009 . . . . 0.0 111.142 177.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -65.61 -40.81 93.05 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.41 1.084 . . . . 0.0 111.164 174.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -67.18 -41.7 85.49 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.952 1.301 . . . . 0.0 110.639 177.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.442 ' CE2' HD21 ' A' ' 12' ' ' LEU . 13.9 m-30 -61.19 -39.26 89.51 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.121 0.968 . . . . 0.0 113.302 170.298 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -59.61 -46.51 88.76 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.343 1.057 . . . . 0.0 110.857 171.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.96 -43.58 98.41 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.434 1.493 . . . . 0.0 112.059 -179.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 . . . . . 0 N--CA 1.47 0.538 0 C-N-CA 125.401 1.481 . . . . 0.0 112.958 170.27 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 N--CA 1.47 0.542 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.2 m -63.49 -33.61 75.95 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.093 0.957 . . . . 0.0 112.148 -176.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 95.0 m -72.08 -40.89 67.95 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.231 1.013 . . . . 0.0 111.301 174.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.3 m -62.37 -37.56 86.18 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.483 -0.761 . . . . 0.0 112.664 170.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.2 mmm -68.95 -39.1 79.71 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.057 -1.027 . . . . 0.0 111.82 175.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tt -66.29 -39.18 89.21 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.437 1.095 . . . . 0.0 111.098 174.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.5 -39.22 93.94 Favored Glycine 0 CA--C 1.53 0.977 0 C-N-CA 124.692 1.139 . . . . 0.0 112.253 175.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.6 m -68.19 -42.6 79.68 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.949 0.9 . . . . 0.0 110.836 174.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.461 HD21 ' CE2' ' A' ' 16' ' ' PHE . 3.4 tt -58.21 -42.89 87.2 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.369 1.068 . . . . 0.0 111.867 171.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.7 m -68.27 -38.18 81.48 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.506 1.122 . . . . 0.0 111.346 177.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.3 tp60 -64.69 -36.27 83.73 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.595 1.158 . . . . 0.0 110.887 173.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.87 -38.77 61.84 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.697 0.799 . . . . 0.0 111.999 177.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.461 ' CE2' HD21 ' A' ' 12' ' ' LEU . 14.9 m-30 -60.24 -36.85 78.68 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.89 0.876 . . . . 0.0 112.488 167.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -63.72 -51.27 65.72 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.99 0.916 . . . . 0.0 110.047 171.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -54.63 -44.08 72.87 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.765 1.226 . . . . 0.0 112.52 178.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 . . . . . 0 N--CA 1.473 0.718 0 C-N-CA 124.671 1.188 . . . . 0.0 113.38 170.868 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 N--CA 1.47 0.545 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.5 m -63.58 -33.47 75.67 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.123 0.969 . . . . 0.0 112.203 -176.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.8 m -71.92 -40.73 68.59 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.182 0.993 . . . . 0.0 111.305 174.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.5 m -62.53 -36.86 83.93 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.51 -0.744 . . . . 0.0 112.724 169.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 36.1 mmt -69.39 -38.61 78.07 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.603 1.092 . . . . 0.0 111.94 175.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tt -65.93 -38.89 89.84 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.326 1.05 . . . . 0.0 111.173 173.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.36 -39.82 94.37 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 124.727 1.156 . . . . 0.0 112.191 174.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.4 m -67.84 -41.93 82.19 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.02 0.928 . . . . 0.0 110.897 175.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.433 HD21 ' CE2' ' A' ' 16' ' ' PHE . 4.2 tt -58.9 -42.87 90.62 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.44 1.096 . . . . 0.0 112.002 171.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.5 m -68.23 -38.49 81.92 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.101 0.961 . . . . 0.0 111.221 177.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -66.44 -37.49 85.27 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.894 1.278 . . . . 0.0 111.067 175.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -70.47 -40.66 73.52 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.441 1.496 . . . . 0.0 111.095 176.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.433 ' CE2' HD21 ' A' ' 12' ' ' LEU . 14.8 m-30 -61.0 -39.12 88.48 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.47 -0.769 . . . . 0.0 112.768 169.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -64.61 -44.1 91.65 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.169 1.387 . . . . 0.0 111.617 174.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -57.09 -56.72 18.08 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.848 1.259 . . . . 0.0 111.115 172.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 . . . . . 0 N--CA 1.475 0.786 0 C-N-CA 125.13 1.372 . . . . 0.0 113.105 176.253 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 N--CA 1.469 0.485 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.0 m -63.38 -33.66 76.03 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.154 0.982 . . . . 0.0 112.194 -176.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.9 m -72.01 -41.04 68.05 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.262 1.025 . . . . 0.0 111.355 174.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 m -62.26 -37.65 86.28 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.572 -0.705 . . . . 0.0 112.762 170.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.4 mmm -68.66 -39.18 80.75 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.146 -0.971 . . . . 0.0 111.927 175.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tt -66.23 -38.95 89.14 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.346 1.059 . . . . 0.0 111.082 174.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.23 -39.57 94.49 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 124.634 1.111 . . . . 0.0 112.357 174.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.3 m -68.25 -41.02 81.74 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.036 0.934 . . . . 0.0 111.035 174.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.4 HD21 ' CE2' ' A' ' 16' ' ' PHE . 3.5 tt -60.34 -41.63 93.99 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.478 1.111 . . . . 0.0 112.04 171.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.5 m -68.88 -38.57 79.75 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.002 0.921 . . . . 0.0 110.988 177.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.5 tp60 -65.26 -35.57 81.45 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.993 1.317 . . . . 0.0 111.546 173.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -70.96 -42.05 70.28 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.673 1.189 . . . . 0.0 110.967 176.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.4 ' CE2' HD21 ' A' ' 12' ' ' LEU . 16.8 m-30 -63.98 -37.7 88.37 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 170.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -60.9 -45.39 94.81 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.765 1.226 . . . . 0.0 110.84 172.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -54.73 -55.41 30.15 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.177 0.991 . . . . 0.0 111.673 172.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 . . . . . 0 CA--C 1.54 0.559 0 N-CA-C 113.793 1.034 . . . . 0.0 113.793 -176.853 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 N--CA 1.475 0.795 0 CA-C-O 121.242 0.544 . . . . 0.0 111.511 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.1 p -58.25 -40.36 81.56 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 126.462 1.905 . . . . 0.0 112.995 177.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.9 m -66.21 -40.13 90.11 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.5 1.12 . . . . 0.0 111.019 176.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.93 -39.88 94.18 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.303 1.041 . . . . 0.0 112.256 173.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 92.1 mmm -68.0 -38.59 82.82 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.466 -0.771 . . . . 0.0 111.946 175.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.4 tt -66.52 -39.04 88.42 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.629 1.172 . . . . 0.0 111.129 174.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.39 -39.96 94.35 Favored Glycine 0 CA--C 1.528 0.879 0 C-N-CA 124.462 1.029 . . . . 0.0 112.31 174.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.3 m -68.33 -40.03 81.73 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.243 1.017 . . . . 0.0 110.994 175.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.1 tt -60.3 -44.05 95.73 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.078 0.951 . . . . 0.0 111.526 170.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.8 m -66.87 -38.12 85.72 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.224 -0.922 . . . . 0.0 111.012 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -63.24 -35.44 80.34 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.325 1.45 . . . . 0.0 111.28 172.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -72.18 -39.29 68.77 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.603 1.161 . . . . 0.0 111.93 177.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -66.88 -36.55 82.56 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 121.22 -0.925 . . . . 0.0 113.328 169.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -58.71 -45.66 89.05 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.687 1.195 . . . . 0.0 110.87 172.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -54.23 -61.31 2.39 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.684 1.193 . . . . 0.0 110.97 171.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 . . . . . 0 CA--C 1.543 0.677 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 -175.321 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.3 tm? . . . . . 0 N--CA 1.469 0.511 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.6 m -64.37 -33.12 75.12 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.446 1.098 . . . . 0.0 112.383 -177.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 96.1 m -71.92 -40.21 68.94 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.058 0.943 . . . . 0.0 111.274 174.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.6 m -62.17 -36.98 83.53 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.575 -0.703 . . . . 0.0 112.762 169.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.2 mmt -68.15 -40.33 82.43 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.448 1.022 . . . . 0.0 111.855 174.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tt -66.13 -39.02 89.55 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.423 1.089 . . . . 0.0 111.091 175.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.46 -39.71 94.16 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 124.745 1.164 . . . . 0.0 112.148 175.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.0 m -68.08 -42.28 80.62 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.053 0.941 . . . . 0.0 110.967 175.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.427 HD21 ' CE2' ' A' ' 16' ' ' PHE . 4.0 tt -58.41 -43.4 88.6 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.518 1.127 . . . . 0.0 111.87 171.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.7 m -68.03 -38.31 82.37 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.318 1.047 . . . . 0.0 111.252 177.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.6 tp60 -66.5 -36.83 83.7 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.71 1.204 . . . . 0.0 111.296 175.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.06 -46.14 75.27 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.018 1.327 . . . . 0.0 110.426 173.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.427 ' CE2' HD21 ' A' ' 12' ' ' LEU . 14.9 m-30 -59.42 -39.01 82.14 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.57 -0.706 . . . . 0.0 112.809 173.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -63.7 -45.73 88.7 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.371 1.469 . . . . 0.0 111.251 174.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -58.83 -56.42 22.4 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.392 1.077 . . . . 0.0 111.605 174.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 . . . . . 0 N--CA 1.471 0.599 0 C-N-CA 124.227 1.011 . . . . 0.0 112.679 177.941 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 tt . . . . . 0 N--CA 1.47 0.57 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.7 m -63.74 -30.78 71.84 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.058 0.943 . . . . 0.0 112.549 -178.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 89.1 m -72.28 -39.75 68.09 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.535 1.134 . . . . 0.0 111.257 173.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 83.1 m -59.35 -39.0 81.81 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 166.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 92.6 mmm -68.56 -38.05 80.44 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 119.504 1.047 . . . . 0.0 112.011 176.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.4 tt -66.5 -39.24 88.61 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.42 1.088 . . . . 0.0 111.035 174.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.23 -39.21 94.36 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 124.736 1.16 . . . . 0.0 112.286 174.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.5 m -69.65 -40.44 76.47 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.006 0.922 . . . . 0.0 111.087 175.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.417 HD21 ' CE2' ' A' ' 16' ' ' PHE . 4.0 tt -59.13 -42.64 91.12 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.464 1.106 . . . . 0.0 111.815 170.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.5 m -67.67 -37.79 82.84 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.2 1.0 . . . . 0.0 111.036 177.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -66.36 -39.74 89.32 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.64 1.176 . . . . 0.0 111.423 174.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -67.45 -41.4 84.76 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.607 1.563 . . . . 0.0 110.252 177.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.417 ' CE2' HD21 ' A' ' 12' ' ' LEU . 15.4 m-30 -63.13 -38.6 91.81 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.396 -0.815 . . . . 0.0 112.995 170.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -61.68 -45.32 94.51 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.839 1.255 . . . . 0.0 111.309 172.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -55.31 -53.29 58.01 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.422 1.489 . . . . 0.0 111.881 173.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 . . . . . 0 CA--C 1.539 0.541 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 177.8 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.9 tt . . . . . 0 N--CA 1.467 0.384 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.4 m -64.36 -32.99 74.82 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.96 0.904 . . . . 0.0 111.872 -172.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 53.1 m -72.53 -42.82 64.32 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.663 0.785 . . . . 0.0 111.195 174.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.7 m -63.59 -34.65 78.29 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 171.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.2 mmt -68.65 -39.46 80.68 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 120.016 1.28 . . . . 0.0 111.773 173.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.2 tt -66.02 -38.94 89.7 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.192 0.997 . . . . 0.0 111.1 174.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.55 -39.64 93.98 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 124.823 1.202 . . . . 0.0 112.217 175.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.4 m -67.98 -42.31 81.0 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.82 0.848 . . . . 0.0 110.946 174.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.456 HD21 ' CE2' ' A' ' 16' ' ' PHE . 3.9 tt -58.6 -43.46 89.54 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.362 1.065 . . . . 0.0 111.881 171.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 91.8 m -67.76 -37.8 82.59 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.543 1.137 . . . . 0.0 111.291 178.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.9 tp60 -64.58 -39.32 93.52 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.634 1.174 . . . . 0.0 110.606 173.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.41 -37.29 68.7 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.321 -0.862 . . . . 0.0 111.522 178.279 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.456 ' CE2' HD21 ' A' ' 12' ' ' LEU . 14.4 m-30 -61.34 -39.01 88.98 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.331 -0.856 . . . . 0.0 112.834 168.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.18 -46.32 89.46 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.531 1.132 . . . . 0.0 110.874 173.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -59.26 -49.52 77.51 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 125.05 1.34 . . . . 0.0 111.682 177.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 . . . . . 0 N--CA 1.474 0.741 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 172.487 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 N--CA 1.47 0.54 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.1 m -63.5 -33.58 75.89 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.144 0.978 . . . . 0.0 112.168 -176.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 95.1 m -72.1 -40.9 67.85 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.209 1.004 . . . . 0.0 111.377 174.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 m -62.31 -37.62 86.26 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.531 -0.73 . . . . 0.0 112.714 170.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.4 mmm -68.84 -38.89 80.12 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.324 0.966 . . . . 0.0 111.875 175.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.2 tt -66.4 -38.81 88.32 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.313 1.045 . . . . 0.0 111.144 174.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.66 -40.0 93.9 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 124.664 1.126 . . . . 0.0 112.304 175.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.6 m -68.6 -39.55 80.82 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.073 0.949 . . . . 0.0 111.099 175.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.2 tt -61.23 -42.97 99.54 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.949 0.9 . . . . 0.0 111.781 170.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 91.1 m -66.81 -38.08 85.77 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.005 -1.059 . . . . 0.0 110.666 178.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -65.47 -36.92 85.33 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.832 1.253 . . . . 0.0 111.411 172.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -65.6 -43.18 90.43 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.835 1.254 . . . . 0.0 110.386 175.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -65.42 -40.14 92.98 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 172.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -55.09 -47.1 75.39 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.679 1.192 . . . . 0.0 110.505 170.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 tmmm? -66.2 -48.12 71.65 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 125.831 1.652 . . . . 0.0 112.017 -175.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 . . . . . 0 N--CA 1.473 0.714 0 C-N-CA 124.638 1.175 . . . . 0.0 113.444 173.4 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 33.6 t . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.567 0.222 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -175.39 -24.8 0.03 OUTLIER Glycine 0 CA--C 1.539 1.537 0 C-N-CA 125.687 1.613 . . . . 0.0 114.063 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -151.05 168.15 25.49 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.75 2.02 . . . . 0.0 110.462 172.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -51.5 -52.46 46.52 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.265 1.426 . . . . 0.0 112.464 -178.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.7 m -63.27 -33.67 76.02 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.126 0.97 . . . . 0.0 112.198 -176.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.5 m -72.02 -41.06 67.97 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.213 1.005 . . . . 0.0 111.366 174.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 m -62.36 -37.24 84.95 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.564 -0.71 . . . . 0.0 112.728 170.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.5 mmm -69.27 -39.82 78.16 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.381 0.992 . . . . 0.0 111.866 175.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.1 tt -65.74 -38.64 89.67 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.373 1.069 . . . . 0.0 111.155 174.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.36 -43.99 94.14 Favored Glycine 0 CA--C 1.525 0.704 0 C-N-CA 124.556 1.074 . . . . 0.0 111.736 174.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.4 m -65.73 -39.89 91.61 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.793 0.837 . . . . 0.0 110.939 176.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 tt -59.62 -40.12 86.52 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.324 1.049 . . . . 0.0 112.152 170.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 84.9 m -69.84 -38.54 76.54 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.934 0.893 . . . . 0.0 111.187 178.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -64.55 -38.03 89.59 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.634 1.173 . . . . 0.0 111.994 172.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -68.26 -42.16 80.03 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 124.499 1.119 . . . . 0.0 110.926 178.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.5 m-30 -65.72 -38.39 89.05 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.641 0.777 . . . . 0.0 113.067 170.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -58.19 -47.49 83.27 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.909 1.231 . . . . 0.0 110.328 173.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -54.28 -59.66 4.38 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.466 1.107 . . . . 0.0 111.104 174.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -71.65 -17.37 62.26 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -173.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.3 t60 -72.09 -48.25 45.37 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 123.94 0.896 . . . . 0.0 112.153 175.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.2 t -79.04 -30.05 43.89 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -176.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -158.67 155.4 24.97 Favored Pre-proline 0 N--CA 1.479 1.022 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 -170.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -85.05 -40.69 0.08 OUTLIER 'Trans proline' 0 CA--C 1.544 0.988 0 C-N-CA 123.721 2.947 . . . . 0.0 114.467 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -89.26 -0.13 57.22 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.944 1.298 . . . . 0.0 113.369 -178.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.6 t -27.21 -27.48 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.824 1 C-N-CA 133.588 4.755 . . . . 0.0 119.305 179.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -59.88 -14.42 15.28 Favored 'General case' 0 CA--C 1.551 0.983 0 O-C-N 120.402 -1.436 . . . . 0.0 114.157 176.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.1 t -104.72 -2.96 24.23 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.959 1.704 . . . . 0.0 114.057 174.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -179.49 79.89 0.06 OUTLIER Glycine 0 CA--C 1.531 1.073 0 C-N-CA 125.797 1.665 . . . . 0.0 111.613 -167.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.2 m -56.97 -18.45 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.225 0 N-CA-C 116.267 1.951 . . . . 0.0 116.267 -166.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -136.16 36.56 1.99 Allowed Glycine 0 CA--C 1.533 1.166 0 C-N-CA 126.309 1.909 . . . . 0.0 112.268 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.4 m -144.91 140.18 16.0 Favored Pre-proline 0 N--CA 1.478 0.932 0 C-N-CA 124.941 1.296 . . . . 0.0 111.109 -164.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -72.33 169.03 22.63 Favored 'Trans proline' 0 CA--C 1.542 0.896 0 C-N-CA 123.146 2.564 . . . . 0.0 112.996 174.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.378 0 O-C-N 120.334 -1.479 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.3 p . . . . . 0 N--CA 1.483 1.203 0 CA-C-O 121.048 0.451 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.69 -63.79 3.7 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 126.019 1.771 . . . . 0.0 112.684 -171.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 -150.11 174.02 13.23 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 128.815 2.846 . . . . 0.0 107.33 167.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -58.97 -54.98 41.07 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 120.804 -1.185 . . . . 0.0 111.132 172.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 m -66.0 -33.54 76.04 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.821 1.248 . . . . 0.0 112.24 -178.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 51.3 m -65.19 -40.8 94.7 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.404 0.682 . . . . 0.0 110.811 172.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 t -67.25 -39.06 86.09 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.925 -0.484 . . . . 0.0 112.123 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.3 mmm -66.6 -39.01 88.19 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.657 0.783 . . . . 0.0 111.955 174.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.4 tt -66.84 -39.37 87.61 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.397 1.079 . . . . 0.0 111.128 174.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.53 -39.15 95.42 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 124.502 1.048 . . . . 0.0 112.244 174.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.1 m -68.61 -41.33 79.69 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.207 1.003 . . . . 0.0 111.104 175.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 tt -60.41 -41.08 93.15 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.475 1.11 . . . . 0.0 112.046 171.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 86.6 m -69.36 -38.81 78.25 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.045 0.938 . . . . 0.0 110.958 177.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -64.84 -35.55 81.49 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.888 1.275 . . . . 0.0 111.448 172.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -71.09 -43.4 67.8 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.668 1.187 . . . . 0.0 111.003 177.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -62.07 -39.29 91.91 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.377 0.671 . . . . 0.0 112.796 170.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -61.62 -46.12 91.17 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.7 1.2 . . . . 0.0 110.857 174.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -55.34 -54.84 38.52 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.043 1.337 . . . . 0.0 111.558 174.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -66.39 -20.8 66.17 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 178.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -76.79 -46.04 26.5 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.611 1.165 . . . . 0.0 112.556 172.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.9 t -74.05 -24.11 59.48 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 118.613 0.642 . . . . 0.0 112.38 -176.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -155.11 141.87 13.41 Favored Pre-proline 0 CA--C 1.547 0.837 0 C-N-CA 123.641 0.776 . . . . 0.0 112.175 171.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -67.63 -29.17 36.87 Favored 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 122.841 2.361 . . . . 0.0 115.855 -160.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -116.14 -13.11 11.17 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.905 1.282 . . . . 0.0 113.863 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 t 42.88 -6.9 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.41 1 C-N-CA 132.656 4.382 . . . . 0.0 121.443 173.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -51.04 -23.67 3.2 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 117.039 2.237 . . . . 0.0 117.039 -171.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.6 t -68.86 -15.46 63.5 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 175.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 145.69 -54.31 0.55 Allowed Glycine 0 CA--C 1.527 0.837 0 C-N-CA 126.13 1.824 . . . . 0.0 112.822 174.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.91 -44.23 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 127.399 2.279 . . . . 0.0 110.302 167.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.93 -0.2 86.12 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.56 1.076 . . . . 0.0 115.169 176.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 26.6 m -42.05 111.42 0.92 Allowed Pre-proline 0 N--CA 1.477 0.906 0 C-N-CA 126.75 2.02 . . . . 0.0 112.86 -177.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -79.84 8.07 4.23 Favored 'Trans proline' 0 CA--C 1.546 1.109 0 C-N-CA 123.672 2.915 . . . . 0.0 114.741 -170.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 O-C-N 119.599 -1.938 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 119.59 -0.243 . . . . 0.0 110.676 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -53.25 -46.03 63.74 Favored Glycine 0 CA--C 1.539 1.547 0 C-N-CA 124.984 1.278 . . . . 0.0 116.051 -174.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -157.16 161.63 39.34 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.392 1.477 . . . . 0.0 111.407 171.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -50.64 -52.24 41.54 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 125.373 1.469 . . . . 0.0 112.535 -175.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.3 m -63.5 -35.64 81.12 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.224 1.01 . . . . 0.0 112.046 -176.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 97.4 m -69.44 -41.22 76.57 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.917 0.887 . . . . 0.0 111.139 173.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.9 m -65.21 -36.52 84.43 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.589 -0.694 . . . . 0.0 112.054 175.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 35.1 mmt -69.18 -39.13 78.89 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.911 0.884 . . . . 0.0 111.872 174.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tt -65.65 -39.04 90.98 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.066 0.947 . . . . 0.0 111.043 173.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.67 -39.31 93.71 Favored Glycine 0 CA--C 1.53 1.021 0 C-N-CA 124.669 1.128 . . . . 0.0 112.331 174.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.9 m -66.94 -42.66 84.89 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.185 0.994 . . . . 0.0 110.759 174.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.423 HD21 ' CE2' ' A' ' 16' ' ' PHE . 3.7 tt -59.91 -42.23 93.44 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.603 1.161 . . . . 0.0 112.017 172.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.3 m -69.27 -39.43 78.4 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.183 0.993 . . . . 0.0 111.246 178.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -62.53 -38.33 89.55 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.664 1.586 . . . . 0.0 110.99 172.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -74.64 -37.7 62.69 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.035 0.934 . . . . 0.0 112.095 179.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.423 ' CE2' HD21 ' A' ' 12' ' ' LEU . 15.5 m-30 -63.09 -40.22 97.03 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.18 -0.95 . . . . 0.0 112.54 167.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -61.58 -44.75 96.45 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.329 1.452 . . . . 0.0 110.83 175.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -54.17 -57.99 9.04 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.677 1.591 . . . . 0.0 112.974 169.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -68.09 -24.53 65.06 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 -177.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -69.01 -47.26 65.91 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 124.616 1.166 . . . . 0.0 111.872 178.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.5 t -86.4 -18.65 31.23 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -178.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -155.2 101.3 2.27 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 123.54 0.736 . . . . 0.0 111.055 -175.051 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -66.61 -28.2 45.01 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 123.808 3.005 . . . . 0.0 114.648 -170.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -82.11 -11.13 58.93 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.754 1.621 . . . . 0.0 113.852 172.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.2 t 44.75 -7.85 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.23 1 C-N-CA 132.119 4.168 . . . . 0.0 120.985 179.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.2 p-10 -46.57 -36.54 6.97 Favored 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 117.59 2.441 . . . . 0.0 117.59 -167.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.3 m -163.78 114.36 1.32 Allowed 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.614 1.965 . . . . 0.0 108.536 173.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 138.19 70.11 0.05 OUTLIER Glycine 0 CA--C 1.528 0.85 0 C-N-CA 125.314 1.435 . . . . 0.0 112.988 172.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.2 m -58.07 -30.53 39.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 -169.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -136.38 19.47 3.6 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 125.07 1.319 . . . . 0.0 114.227 -173.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 85.7 m -158.18 134.95 6.6 Favored Pre-proline 0 N--CA 1.481 1.093 0 CA-C-N 118.902 1.351 . . . . 0.0 109.803 -175.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -77.3 36.8 0.56 Allowed 'Trans proline' 0 CA--C 1.55 1.322 0 C-N-CA 124.674 3.583 . . . . 0.0 113.489 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.354 0 O-C-N 119.123 -2.236 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 10.0 t . . . . . 0 N--CA 1.485 1.32 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -169.48 -36.02 0.02 OUTLIER Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.544 1.068 . . . . 0.0 115.077 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -152.35 162.7 40.8 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.335 1.454 . . . . 0.0 111.01 170.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.1 tt -50.7 -52.49 39.69 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.221 1.408 . . . . 0.0 112.42 -175.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.8 m -63.4 -35.38 80.22 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.317 1.047 . . . . 0.0 111.895 -175.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 97.2 m -69.17 -41.08 77.69 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.06 0.944 . . . . 0.0 111.082 172.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.8 m -65.34 -37.91 88.51 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 118.733 0.697 . . . . 0.0 112.281 175.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.9 mmm -67.98 -39.51 83.27 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.355 -0.841 . . . . 0.0 111.941 174.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.2 tt -65.88 -38.97 90.2 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.034 0.934 . . . . 0.0 111.21 174.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.28 -43.2 95.6 Favored Glycine 0 CA--C 1.526 0.733 0 C-N-CA 124.711 1.148 . . . . 0.0 111.789 175.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.4 m -68.95 -38.51 79.48 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.724 1.21 . . . . 0.0 111.384 176.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.476 HD21 ' CE2' ' A' ' 16' ' ' PHE . 2.7 tt -57.27 -40.91 78.66 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.891 0.876 . . . . 0.0 111.443 168.31 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.2 m -69.44 -37.83 77.56 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.093 0.957 . . . . 0.0 111.513 177.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -63.82 -40.41 96.55 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.608 -0.682 . . . . 0.0 110.946 172.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -72.69 -35.3 67.62 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.448 0.699 . . . . 0.0 112.166 -178.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.476 ' CE2' HD21 ' A' ' 12' ' ' LEU . 12.8 m-30 -62.5 -37.13 84.82 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.303 1.041 . . . . 0.0 112.835 165.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -63.26 -48.58 77.57 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.08 0.855 . . . . 0.0 110.568 171.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -58.52 -40.31 82.55 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.792 1.637 . . . . 0.0 113.07 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -67.61 -37.26 82.29 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.385 0.674 . . . . 0.0 112.797 168.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -63.42 -37.83 88.8 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 120.683 -1.26 . . . . 0.0 111.913 -177.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.0 t -77.62 -21.88 51.63 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 176.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -146.89 95.61 4.46 Favored Pre-proline 0 CA--C 1.554 1.124 0 C-N-CA 124.376 1.07 . . . . 0.0 111.405 176.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -60.73 -31.41 91.9 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 124.126 3.217 . . . . 0.0 116.592 -154.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -100.83 -6.75 24.36 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 -175.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.6 m -155.38 111.02 3.07 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.85 1.26 . . . . 0.0 109.86 -175.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.7 p-10 -60.57 40.75 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 128.689 2.795 . . . . 0.0 116.757 175.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.8 t -130.87 -6.11 4.0 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.42 1.488 . . . . 0.0 114.194 -175.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.82 47.53 1.86 Allowed Glycine 0 N--CA 1.473 1.115 0 C-N-CA 125.535 1.54 . . . . 0.0 111.985 -176.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.8 p -48.83 -18.16 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 129.901 3.28 . . . . 0.0 116.011 -166.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -145.78 14.6 1.76 Allowed Glycine 0 CA--C 1.537 1.412 0 C-N-CA 124.367 0.984 . . . . 0.0 115.539 170.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.6 m -161.41 134.03 4.43 Favored Pre-proline 0 N--CA 1.481 1.122 0 CA-C-N 119.414 1.607 . . . . 0.0 110.213 -178.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -74.43 54.12 3.27 Favored 'Trans proline' 0 CA--C 1.55 1.288 0 C-N-CA 124.873 3.715 . . . . 0.0 113.307 176.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.414 0 O-C-N 119.342 -2.099 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.488 1.454 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -57.81 -35.9 77.11 Favored Glycine 0 CA--C 1.538 1.518 0 O-C-N 121.343 -0.848 . . . . 0.0 114.34 176.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -150.06 169.98 19.95 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.851 2.06 . . . . 0.0 109.689 174.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.3 tt -59.58 -49.1 79.09 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.371 1.068 . . . . 0.0 110.742 168.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.6 p -56.94 -36.42 70.23 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.84 1.656 . . . . 0.0 113.425 173.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.0 m -67.17 -41.63 85.64 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.192 0.997 . . . . 0.0 110.839 174.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 80.6 m -61.86 -38.98 90.28 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 170.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.4 mmm -68.17 -38.24 81.86 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.38 0.991 . . . . 0.0 112.016 176.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.4 tt -66.88 -39.44 87.5 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.609 1.164 . . . . 0.0 111.056 174.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.87 -40.07 95.33 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 124.602 1.096 . . . . 0.0 112.167 174.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.5 m -68.3 -40.46 81.73 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.249 1.019 . . . . 0.0 110.976 175.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.6 tt -60.08 -45.05 94.19 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.092 0.957 . . . . 0.0 111.545 171.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.1 m -66.55 -38.07 86.34 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.221 1.008 . . . . 0.0 111.088 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.5 tp60 -61.83 -39.27 91.23 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.913 1.285 . . . . 0.0 110.69 171.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -38.74 86.86 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.742 1.217 . . . . 0.0 111.734 176.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -66.88 -38.03 85.54 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 171.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -59.73 -44.76 93.63 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.428 1.091 . . . . 0.0 111.088 170.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -57.75 -54.29 48.61 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.114 1.366 . . . . 0.0 111.49 173.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -57.77 -34.08 69.2 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.757 0.823 . . . . 0.0 112.292 177.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -69.06 -44.73 72.0 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.926 1.29 . . . . 0.0 112.318 -179.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.5 t -75.84 -28.96 58.42 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -165.22 123.0 1.11 Allowed Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 125.924 1.69 . . . . 0.0 110.781 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -61.12 -22.2 73.96 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 122.914 2.409 . . . . 0.0 115.026 -177.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -110.33 -2.8 16.52 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.368 1.867 . . . . 0.0 115.095 -173.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.4 t -76.78 -4.84 45.57 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 -176.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -60.99 -8.94 3.59 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 116.858 2.17 . . . . 0.0 116.858 -164.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.2 t -67.55 -13.19 61.84 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 164.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -140.47 -100.66 0.44 Allowed Glycine 0 CA--C 1.534 1.245 0 C-N-CA 126.059 1.79 . . . . 0.0 113.266 -175.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.1 p -156.64 -47.0 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 N-CA-C 115.875 1.806 . . . . 0.0 115.875 -169.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 177.25 62.63 0.06 OUTLIER Glycine 0 N--CA 1.471 0.981 0 CA-C-N 119.254 0.934 . . . . 0.0 113.183 -165.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.8 m -154.33 138.99 11.55 Favored Pre-proline 0 N--CA 1.481 1.091 0 C-N-CA 126.063 1.745 . . . . 0.0 110.147 -168.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.99 -35.7 41.88 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 122.367 2.044 . . . . 0.0 113.787 -176.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.403 0 O-C-N 120.483 -1.386 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 10.1 t . . . . . 0 N--CA 1.485 1.315 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -169.36 -36.16 0.02 OUTLIER Glycine 0 CA--C 1.538 1.52 0 C-N-CA 124.66 1.124 . . . . 0.0 115.052 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -152.42 162.5 41.1 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.243 1.417 . . . . 0.0 111.176 171.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -50.77 -52.2 43.06 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.383 1.473 . . . . 0.0 112.561 -175.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.1 m -63.04 -35.68 81.04 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.186 0.994 . . . . 0.0 111.999 -176.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 98.8 m -69.84 -41.3 75.1 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.969 0.908 . . . . 0.0 111.214 173.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.3 m -64.97 -37.19 86.84 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.642 -0.661 . . . . 0.0 112.147 175.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 92.0 mmm -68.42 -39.42 81.58 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.797 0.839 . . . . 0.0 111.863 174.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.4 tt -65.89 -39.22 90.43 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.146 0.978 . . . . 0.0 111.143 174.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.5 -39.02 93.89 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.732 1.158 . . . . 0.0 112.335 175.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.6 m -68.71 -40.67 79.84 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.04 0.936 . . . . 0.0 111.04 174.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 tt -60.95 -41.27 95.99 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.417 1.087 . . . . 0.0 112.091 171.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.4 m -68.54 -39.15 81.24 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.073 0.949 . . . . 0.0 110.703 177.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -65.51 -36.45 83.87 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.875 1.27 . . . . 0.0 111.576 172.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -68.68 -43.09 76.85 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.598 1.159 . . . . 0.0 110.479 177.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -63.38 -42.51 98.85 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 171.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -56.26 -46.97 79.45 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.434 1.494 . . . . 0.0 110.719 173.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 tmmm? -62.95 -53.74 49.34 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 125.706 1.602 . . . . 0.0 110.722 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -59.68 -26.56 65.67 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.622 0.769 . . . . 0.0 112.9 177.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -74.49 -46.98 35.94 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.934 0.894 . . . . 0.0 113.228 174.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.4 t -79.01 -29.39 43.64 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -178.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -176.06 114.32 0.27 Allowed Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 126.086 1.754 . . . . 0.0 111.559 -178.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -69.12 -29.84 26.23 Favored 'Trans proline' 0 CA--C 1.539 0.739 0 C-N-CA 122.785 2.323 . . . . 0.0 115.028 -175.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -128.77 -12.94 4.76 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 115.865 1.802 . . . . 0.0 115.865 -161.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.6 m -63.91 -51.58 63.82 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.474 1.11 . . . . 0.0 112.458 -173.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.8 p30 -153.94 156.11 36.88 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 126.043 1.737 . . . . 0.0 109.361 161.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.4 t -87.48 -11.61 48.48 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 -175.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.2 -50.0 18.81 Favored Glycine 0 N--CA 1.468 0.818 0 C-N-CA 124.559 1.076 . . . . 0.0 114.101 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.2 p -142.78 -26.12 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.862 1.265 . . . . 0.0 113.669 -171.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.79 -31.62 3.91 Favored Glycine 0 CA--C 1.527 0.788 0 C-N-CA 125.429 1.49 . . . . 0.0 112.641 175.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 43.8 p -61.83 138.04 95.39 Favored Pre-proline 0 CA--C 1.54 0.595 0 CA-C-N 117.854 0.827 . . . . 0.0 110.734 174.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -76.32 -10.66 19.15 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 123.275 2.65 . . . . 0.0 114.453 -171.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 O-C-N 120.054 -1.654 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 10.1 t . . . . . 0 N--CA 1.485 1.298 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -169.53 -36.18 0.02 OUTLIER Glycine 0 CA--C 1.538 1.529 0 O-C-N 120.885 -1.134 . . . . 0.0 115.002 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -152.2 162.75 40.67 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.383 1.473 . . . . 0.0 111.061 170.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.9 tt -50.53 -52.58 37.36 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.269 1.428 . . . . 0.0 112.432 -175.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.1 m -63.64 -35.37 80.31 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.218 1.007 . . . . 0.0 111.94 -175.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 98.0 m -68.91 -40.8 78.89 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.952 0.901 . . . . 0.0 111.124 172.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.3 m -65.29 -37.75 88.11 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.571 -0.706 . . . . 0.0 112.3 175.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.9 mmt -67.25 -39.59 86.16 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.348 -0.845 . . . . 0.0 111.871 174.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.4 tt -66.44 -39.2 88.76 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.185 0.994 . . . . 0.0 111.126 175.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.95 -38.81 93.09 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 124.82 1.2 . . . . 0.0 112.312 175.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.1 m -68.77 -41.24 79.11 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.982 0.913 . . . . 0.0 111.013 174.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.422 HD21 ' CE2' ' A' ' 16' ' ' PHE . 3.9 tt -59.56 -42.59 92.74 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.435 1.094 . . . . 0.0 111.906 171.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.0 m -68.44 -38.65 81.35 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.271 1.028 . . . . 0.0 111.126 177.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -64.3 -37.36 87.21 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.392 1.077 . . . . 0.0 111.192 173.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -73.05 -38.43 66.5 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.937 0.895 . . . . 0.0 111.641 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.422 ' CE2' HD21 ' A' ' 12' ' ' LEU . 16.6 m-30 -62.14 -37.0 83.52 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.305 -0.872 . . . . 0.0 112.8 167.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -48.08 81.52 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 119.444 1.02 . . . . 0.0 110.704 172.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -56.74 -49.52 74.97 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.965 1.306 . . . . 0.0 111.878 177.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -70.67 -24.53 62.7 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 177.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -71.07 -46.68 61.45 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.229 1.012 . . . . 0.0 111.873 173.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.9 t -75.31 -22.49 57.65 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -177.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -158.8 120.38 1.9 Allowed Pre-proline 0 CA--C 1.548 0.871 0 C-N-CA 124.676 1.19 . . . . 0.0 111.139 173.132 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -59.23 -22.82 66.77 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 123.163 2.575 . . . . 0.0 116.647 -176.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -138.68 -25.62 0.9 Allowed 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 116.426 2.01 . . . . 0.0 116.426 -178.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.3 m -56.99 -55.07 39.45 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 115.086 1.513 . . . . 0.0 115.086 -164.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 44.1 40.46 3.48 Favored 'General case' 0 CA--C 1.556 1.187 0 N-CA-C 115.482 1.66 . . . . 0.0 115.482 173.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.9 m -110.58 -51.72 2.84 Favored 'General case' 0 N--CA 1.484 1.269 0 O-C-N 121.254 -0.904 . . . . 0.0 113.119 -167.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.91 -53.84 5.61 Favored Glycine 0 N--CA 1.472 1.087 0 C-N-CA 124.118 0.865 . . . . 0.0 111.139 170.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.5 p -149.18 -52.58 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 125.284 1.434 . . . . 0.0 109.664 158.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -131.01 -46.28 0.14 Allowed Glycine 0 N--CA 1.471 1.012 0 C-N-CA 127.069 2.271 . . . . 0.0 109.448 167.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.7 p -49.06 162.72 0.37 Allowed Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 127.727 2.411 . . . . 0.0 113.564 156.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -75.3 -12.58 20.94 Favored 'Trans proline' 0 CA--C 1.543 0.939 0 C-N-CA 123.423 2.749 . . . . 0.0 114.109 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 O-C-N 120.043 -1.661 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 10.2 t . . . . . 0 N--CA 1.485 1.316 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -169.36 -36.09 0.02 OUTLIER Glycine 0 CA--C 1.538 1.518 0 O-C-N 120.945 -1.097 . . . . 0.0 115.039 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -152.41 162.57 40.99 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.211 1.404 . . . . 0.0 111.196 171.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -50.9 -52.11 45.22 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.495 1.518 . . . . 0.0 112.543 -175.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.3 m -63.24 -35.56 80.74 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.258 1.023 . . . . 0.0 111.959 -176.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 98.6 m -69.86 -41.28 75.03 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.021 0.928 . . . . 0.0 111.168 173.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.3 m -64.93 -37.17 86.75 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.561 -0.712 . . . . 0.0 112.15 175.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 92.1 mmm -68.62 -39.21 80.91 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.761 0.824 . . . . 0.0 111.861 174.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tt -66.0 -39.15 90.04 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.129 0.972 . . . . 0.0 111.045 174.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.54 -39.42 93.94 Favored Glycine 0 CA--C 1.53 0.995 0 C-N-CA 124.731 1.158 . . . . 0.0 112.301 175.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.2 m -68.6 -40.42 80.46 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.997 0.919 . . . . 0.0 110.981 175.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.8 tt -60.84 -42.93 98.76 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.155 0.982 . . . . 0.0 111.755 171.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.3 m -67.45 -39.06 85.35 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.25 -0.907 . . . . 0.0 110.719 178.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 50.7 tp60 -63.13 -34.99 78.81 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.847 1.259 . . . . 0.0 111.08 171.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -69.44 -44.31 71.53 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 124.545 1.138 . . . . 0.0 111.313 177.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -62.7 -38.48 90.57 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 171.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -64.76 -43.24 93.9 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.03 1.332 . . . . 0.0 111.547 175.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -55.64 -51.16 68.16 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.204 1.402 . . . . 0.0 111.819 171.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -63.34 -27.09 69.08 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 175.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -74.61 -41.03 61.16 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.448 1.099 . . . . 0.0 112.912 175.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.9 t -71.05 -36.01 72.14 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 118.828 0.74 . . . . 0.0 111.112 173.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -164.42 143.04 5.76 Favored Pre-proline 0 CA--C 1.553 1.068 0 N-CA-C 116.482 2.03 . . . . 0.0 116.482 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -73.74 -57.38 0.07 OUTLIER 'Trans proline' 0 CA--C 1.545 1.065 0 C-N-CA 123.072 2.515 . . . . 0.0 115.88 -179.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -128.02 -8.67 5.42 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 117.775 2.509 . . . . 0.0 117.775 -162.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.3 m -140.79 -101.74 0.15 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.814 1.646 . . . . 0.0 110.18 175.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -155.76 162.23 40.55 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 121.052 1.751 . . . . 0.0 113.034 168.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.4 m -139.15 -42.9 0.46 Allowed 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 126.024 1.73 . . . . 0.0 111.102 159.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -108.98 -94.47 2.33 Favored Glycine 0 CA--C 1.529 0.969 0 C-N-CA 124.111 0.862 . . . . 0.0 113.021 177.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.7 p -59.82 -30.05 44.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.298 0 N-CA-C 115.359 1.614 . . . . 0.0 115.359 -158.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.18 -2.54 4.31 Favored Glycine 0 CA--C 1.533 1.165 0 CA-C-O 118.242 -1.31 . . . . 0.0 115.59 176.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.9 m -157.42 140.29 10.8 Favored Pre-proline 0 N--CA 1.48 1.049 0 CA-C-N 120.184 1.992 . . . . 0.0 110.918 -157.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -71.35 146.92 51.77 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.342 2.028 . . . . 0.0 112.604 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.67 0 O-C-N 120.811 -1.181 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 5.1 t . . . . . 0 N--CA 1.488 1.459 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 161.72 -32.77 0.35 Allowed Glycine 0 N--CA 1.482 1.722 0 O-C-N 121.236 -0.915 . . . . 0.0 114.255 177.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.454 ' H ' ' HB ' ' A' ' 6' ' ' THR . 18.0 m-80 -138.08 172.27 13.17 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 128.229 2.612 . . . . 0.0 107.365 167.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -56.7 -56.64 18.83 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.046 0.839 . . . . 0.0 111.927 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.3 m -65.02 -33.15 75.36 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.52 1.128 . . . . 0.0 112.155 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.454 ' HB ' ' H ' ' A' ' 3' ' ' ASN . 20.6 m -65.91 -41.36 91.54 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.958 0.903 . . . . 0.0 111.149 173.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -67.88 -37.3 81.6 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.367 1.067 . . . . 0.0 112.293 175.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.1 mmm -67.15 -39.35 86.51 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.503 -0.748 . . . . 0.0 111.873 173.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tt -66.54 -39.06 88.37 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.486 1.114 . . . . 0.0 111.136 174.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.07 -38.94 94.47 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 124.48 1.038 . . . . 0.0 112.374 174.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.1 m -68.64 -42.09 78.48 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.025 0.93 . . . . 0.0 110.819 174.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.45 HD21 ' CE2' ' A' ' 16' ' ' PHE . 3.2 tt -58.6 -42.14 87.45 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.358 1.063 . . . . 0.0 111.928 171.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.5 m -68.48 -38.53 81.1 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.407 1.083 . . . . 0.0 111.09 177.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.2 tp60 -64.58 -35.59 81.5 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.783 1.233 . . . . 0.0 111.124 173.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.458 ' HA ' ' HE3' ' A' ' 18' ' ' LYS . 2.8 t70 -73.06 -40.39 65.1 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.366 1.066 . . . . 0.0 111.808 177.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.45 ' CE2' HD21 ' A' ' 12' ' ' LEU . 15.8 m-30 -62.52 -36.06 81.38 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.491 1.116 . . . . 0.0 112.966 169.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -64.93 -47.7 76.76 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.346 1.058 . . . . 0.0 110.337 173.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.458 ' HE3' ' HA ' ' A' ' 15' ' ' ASP . 6.8 mtmt -60.52 -41.84 95.2 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.034 0.934 . . . . 0.0 112.759 175.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -62.49 -33.98 75.94 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.268 0.627 . . . . 0.0 112.661 169.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -70.05 -40.57 75.02 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.039 -1.038 . . . . 0.0 112.17 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 t -73.12 -31.77 64.52 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 171.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -144.14 94.51 5.78 Favored Pre-proline 0 CA--C 1.552 1.043 0 O-C-N 121.134 -0.979 . . . . 0.0 113.043 -179.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -68.53 -30.02 29.61 Favored 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 123.356 2.704 . . . . 0.0 115.676 -165.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -73.28 -23.58 60.32 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.1 m -158.67 110.63 2.21 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 124.761 1.224 . . . . 0.0 109.993 -168.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 46.5 p-10 -61.21 43.72 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 128.633 2.773 . . . . 0.0 116.363 174.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.6 t -136.75 -5.65 1.95 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 126.041 1.737 . . . . 0.0 113.941 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.57 44.34 3.25 Favored Glycine 0 N--CA 1.474 1.177 0 C-N-CA 125.633 1.587 . . . . 0.0 113.0 -175.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.4 p -47.35 -24.3 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 C-N-CA 130.138 3.375 . . . . 0.0 115.613 -171.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -146.58 23.51 1.67 Allowed Glycine 0 CA--C 1.535 1.287 0 C-N-CA 125.07 1.319 . . . . 0.0 113.523 171.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.1 m -154.98 102.4 2.29 Favored Pre-proline 0 N--CA 1.476 0.871 0 C-N-CA 125.632 1.573 . . . . 0.0 110.019 -175.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -60.24 26.48 0.04 OUTLIER 'Trans proline' 0 CA--C 1.552 1.396 1 C-N-CA 126.251 4.634 . . . . 0.0 117.613 172.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.428 0 O-C-N 119.002 -2.311 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 57.3 m . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.379 0.133 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -58.98 -34.84 80.72 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 123.973 0.797 . . . . 0.0 114.273 174.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -156.46 167.75 29.48 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.392 1.477 . . . . 0.0 111.02 170.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.37 -51.24 67.46 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 125.76 1.624 . . . . 0.0 112.412 -178.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.9 m -64.95 -33.55 76.31 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.624 1.169 . . . . 0.0 112.313 -176.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 75.2 m -69.7 -41.81 74.9 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.095 0.958 . . . . 0.0 110.709 173.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.22 -35.12 77.94 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 169.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.9 mmt -68.97 -39.69 79.3 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.585 1.084 . . . . 0.0 111.732 174.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tt -65.82 -39.09 90.52 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.421 1.088 . . . . 0.0 111.006 174.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.55 -39.0 93.81 Favored Glycine 0 CA--C 1.529 0.937 0 C-N-CA 124.775 1.179 . . . . 0.0 112.35 175.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.0 m -68.93 -41.87 77.53 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.999 0.919 . . . . 0.0 110.972 174.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.436 HD21 ' CE2' ' A' ' 16' ' ' PHE . 3.6 tt -58.61 -42.64 88.62 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.455 1.102 . . . . 0.0 111.867 171.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.5 m -68.35 -38.46 81.49 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.368 1.067 . . . . 0.0 111.199 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -65.29 -34.86 79.35 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.446 1.098 . . . . 0.0 111.11 173.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -74.41 -39.51 62.59 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.827 0.851 . . . . 0.0 111.649 177.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.436 ' CE2' HD21 ' A' ' 12' ' ' LEU . 16.3 m-30 -60.65 -36.98 80.01 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.375 -0.828 . . . . 0.0 112.548 167.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -67.21 -45.17 77.62 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.772 1.229 . . . . 0.0 111.3 174.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -58.95 -41.75 88.2 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.607 1.563 . . . . 0.0 112.782 173.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -62.57 -39.64 94.33 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.948 0.899 . . . . 0.0 112.031 169.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -67.76 -40.2 84.08 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.372 -0.83 . . . . 0.0 112.451 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.7 t -81.7 -24.03 36.44 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.456 0.702 . . . . 0.0 112.785 177.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -151.09 85.91 4.96 Favored Pre-proline 0 CA--C 1.55 0.959 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 176.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -69.51 -34.32 15.66 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.829 3.02 . . . . 0.0 115.468 -162.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.4 pm0 -84.05 -3.8 58.3 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 -176.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.9 m -134.76 -40.3 0.78 Allowed 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -168.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 59.2 t30 62.27 36.41 14.72 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.787 1.635 . . . . 0.0 113.442 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.5 m -166.15 110.31 0.8 Allowed 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 127.809 2.444 . . . . 0.0 107.421 168.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 152.06 72.07 0.01 OUTLIER Glycine 0 CA--C 1.525 0.699 0 C-N-CA 124.655 1.122 . . . . 0.0 111.967 -173.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.8 p -56.71 -18.09 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 N-CA-C 116.125 1.898 . . . . 0.0 116.125 -162.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -130.76 44.22 1.23 Allowed Glycine 0 CA--C 1.537 1.43 0 C-N-CA 125.709 1.623 . . . . 0.0 114.205 -177.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.9 m 42.49 70.89 1.56 Allowed Pre-proline 0 N--CA 1.485 1.288 0 C-N-CA 126.999 2.12 . . . . 0.0 114.847 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -54.13 -13.06 4.31 Favored 'Trans proline' 0 CA--C 1.545 1.054 0 C-N-CA 124.835 3.69 . . . . 0.0 117.379 176.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 O-C-N 119.783 -1.823 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 N-CA-C 110.183 -0.302 . . . . 0.0 110.183 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -58.25 -38.01 88.74 Favored Glycine 0 CA--C 1.539 1.563 0 O-C-N 121.455 -0.778 . . . . 0.0 114.285 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -162.15 171.53 17.28 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.812 2.045 . . . . 0.0 110.632 174.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.8 tt -53.58 -51.7 62.14 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.848 1.659 . . . . 0.0 112.212 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.3 m -63.87 -30.66 71.73 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.095 0.958 . . . . 0.0 112.531 -178.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 87.7 m -72.34 -39.68 67.98 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.468 1.107 . . . . 0.0 111.264 173.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 83.2 m -59.51 -39.05 82.56 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 166.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.9 mmm -68.31 -38.49 81.66 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.53 1.059 . . . . 0.0 111.975 176.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.5 tt -66.38 -39.52 89.14 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.445 1.098 . . . . 0.0 111.062 174.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.36 -39.45 94.24 Favored Glycine 0 CA--C 1.53 0.991 0 C-N-CA 124.547 1.07 . . . . 0.0 112.371 175.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.6 m -68.93 -40.78 78.84 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.05 0.94 . . . . 0.0 111.056 175.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.1 tt -59.21 -44.91 92.26 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.089 0.956 . . . . 0.0 111.423 171.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 92.1 m -66.95 -38.12 85.54 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.408 1.083 . . . . 0.0 111.056 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.3 tp60 -62.99 -33.89 76.36 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.839 1.256 . . . . 0.0 110.893 171.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.52 -39.76 64.54 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.991 0.916 . . . . 0.0 112.634 176.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -62.97 -37.23 86.28 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.548 -0.72 . . . . 0.0 112.795 168.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -63.04 -46.26 88.41 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.329 1.052 . . . . 0.0 111.0 171.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -56.68 -45.9 81.45 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.996 1.718 . . . . 0.0 112.589 175.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -63.65 -35.03 79.18 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.398 0.679 . . . . 0.0 112.629 171.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -70.12 -42.23 72.91 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.238 -0.914 . . . . 0.0 112.349 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.9 t -78.51 -28.01 46.18 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.058 0.543 . . . . 0.0 112.39 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -155.17 87.59 3.24 Favored Pre-proline 0 CA--C 1.551 1.012 0 C-N-CA 124.443 1.097 . . . . 0.0 112.003 177.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -67.52 -33.32 29.31 Favored 'Trans proline' 0 CA--C 1.535 0.553 0 C-N-CA 123.28 2.653 . . . . 0.0 114.789 -169.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.2 tm0? -70.94 -47.03 61.31 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.165 0.986 . . . . 0.0 112.233 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.1 -26.33 15.53 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.394 1.078 . . . . 0.0 113.836 -171.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 64.99 25.23 12.68 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 126.329 1.852 . . . . 0.0 113.317 178.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 26.6 m -161.78 112.0 1.6 Allowed 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.503 1.921 . . . . 0.0 109.055 171.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 177.18 63.97 0.06 OUTLIER Glycine 0 CA--C 1.522 0.496 0 C-N-CA 125.187 1.375 . . . . 0.0 111.748 -178.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.9 p -50.64 -18.06 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 C-N-CA 127.9 2.48 . . . . 0.0 116.341 -158.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -143.85 18.64 2.18 Favored Glycine 0 CA--C 1.538 1.49 0 CA-C-O 118.522 -1.154 . . . . 0.0 115.805 171.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.428 ' HG1' ' N ' ' A' ' 33' ' ' NH2 . 9.3 t -160.89 139.76 7.61 Favored Pre-proline 0 N--CA 1.478 0.936 0 CA-C-N 119.983 1.891 . . . . 0.0 113.748 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -79.26 6.59 4.96 Favored 'Trans proline' 0 CA--C 1.548 1.19 0 C-N-CA 124.175 3.25 . . . . 0.0 113.339 167.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . 0.428 ' N ' ' HG1' ' A' ' 31' ' ' THR . . . . . . . . 0 C--N 1.329 -0.29 0 O-C-N 119.302 -2.124 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 33.7 t . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.626 0.251 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -175.15 -24.62 0.03 OUTLIER Glycine 0 CA--C 1.538 1.507 0 C-N-CA 125.657 1.598 . . . . 0.0 114.09 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -151.06 168.17 25.44 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.745 2.018 . . . . 0.0 110.426 172.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -51.45 -52.46 46.24 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.263 1.425 . . . . 0.0 112.541 -178.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.1 m -63.36 -33.67 76.05 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.163 0.985 . . . . 0.0 112.113 -176.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.9 m -72.09 -41.0 67.81 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.21 1.004 . . . . 0.0 111.314 174.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 m -62.4 -37.64 86.56 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.494 -0.754 . . . . 0.0 112.732 170.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.5 mmm -68.89 -39.38 79.8 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.152 -0.967 . . . . 0.0 111.807 175.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.2 tt -66.08 -39.02 89.7 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.352 1.061 . . . . 0.0 111.071 174.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.47 -39.78 94.15 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 124.697 1.141 . . . . 0.0 112.336 175.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.8 m -69.43 -40.0 77.51 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.068 0.947 . . . . 0.0 111.206 175.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.442 HD21 ' CE2' ' A' ' 16' ' ' PHE . 3.9 tt -59.44 -42.93 93.06 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.34 1.056 . . . . 0.0 111.696 170.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.6 m -67.68 -37.83 82.87 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.222 1.009 . . . . 0.0 111.142 177.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -65.61 -40.81 93.05 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.41 1.084 . . . . 0.0 111.164 174.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -67.18 -41.7 85.49 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.952 1.301 . . . . 0.0 110.639 177.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.442 ' CE2' HD21 ' A' ' 12' ' ' LEU . 13.9 m-30 -61.19 -39.26 89.51 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.121 0.968 . . . . 0.0 113.302 170.298 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -59.61 -46.51 88.76 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.343 1.057 . . . . 0.0 110.857 171.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.96 -43.58 98.41 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.434 1.493 . . . . 0.0 112.059 -179.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -62.96 -37.1 85.76 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.401 1.481 . . . . 0.0 112.958 170.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -66.1 -41.03 91.19 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.051 0.941 . . . . 0.0 111.627 179.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.7 t -81.11 -19.6 43.24 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.35 0.871 . . . . 0.0 113.35 177.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -156.42 109.21 2.04 Favored Pre-proline 0 CA--C 1.557 1.222 0 CA-C-N 119.617 1.099 . . . . 0.0 111.008 -179.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -65.93 -25.51 52.24 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 123.617 2.878 . . . . 0.0 117.486 -160.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -95.01 -2.74 49.7 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.598 1.559 . . . . 0.0 113.419 172.152 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.9 t 44.61 -9.4 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.003 1 C-N-CA 133.402 4.681 . . . . 0.0 121.717 176.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.4 p-10 -40.88 -43.57 2.09 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 117.111 2.263 . . . . 0.0 117.111 -168.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.6 m -163.39 111.66 1.23 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 126.128 1.771 . . . . 0.0 109.241 164.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 172.13 61.36 0.04 OUTLIER Glycine 0 CA--C 1.528 0.859 0 C-N-CA 124.967 1.27 . . . . 0.0 113.442 175.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.0 p -58.83 -15.35 6.13 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 C-N-CA 126.374 1.87 . . . . 0.0 115.596 -172.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -150.18 23.5 1.11 Allowed Glycine 0 CA--C 1.532 1.114 0 O-C-N 120.935 -1.103 . . . . 0.0 115.104 176.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 88.8 m -154.09 133.68 7.52 Favored Pre-proline 0 N--CA 1.48 1.049 0 CA-C-N 118.722 1.261 . . . . 0.0 110.35 -179.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -75.86 43.48 1.12 Allowed 'Trans proline' 0 CA--C 1.549 1.274 0 C-N-CA 124.856 3.704 . . . . 0.0 113.205 176.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.394 0 O-C-N 119.273 -2.142 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 33.9 t . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.635 0.255 . . . . 0.0 110.56 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -174.82 -24.75 0.03 OUTLIER Glycine 0 CA--C 1.539 1.558 0 C-N-CA 125.651 1.595 . . . . 0.0 114.058 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -150.97 168.24 25.17 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.687 1.995 . . . . 0.0 110.449 172.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -51.55 -52.37 47.68 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.309 1.444 . . . . 0.0 112.502 -178.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.2 m -63.49 -33.61 75.95 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.093 0.957 . . . . 0.0 112.148 -176.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 95.0 m -72.08 -40.89 67.95 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.231 1.013 . . . . 0.0 111.301 174.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.3 m -62.37 -37.56 86.18 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.483 -0.761 . . . . 0.0 112.664 170.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.2 mmm -68.95 -39.1 79.71 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.057 -1.027 . . . . 0.0 111.82 175.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tt -66.29 -39.18 89.21 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.437 1.095 . . . . 0.0 111.098 174.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.5 -39.22 93.94 Favored Glycine 0 CA--C 1.53 0.977 0 C-N-CA 124.692 1.139 . . . . 0.0 112.253 175.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.6 m -68.19 -42.6 79.68 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.949 0.9 . . . . 0.0 110.836 174.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.461 HD21 ' CE2' ' A' ' 16' ' ' PHE . 3.4 tt -58.21 -42.89 87.2 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.369 1.068 . . . . 0.0 111.867 171.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.7 m -68.27 -38.18 81.48 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.506 1.122 . . . . 0.0 111.346 177.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.3 tp60 -64.69 -36.27 83.73 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.595 1.158 . . . . 0.0 110.887 173.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.87 -38.77 61.84 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.697 0.799 . . . . 0.0 111.999 177.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.461 ' CE2' HD21 ' A' ' 12' ' ' LEU . 14.9 m-30 -60.24 -36.85 78.68 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.89 0.876 . . . . 0.0 112.488 167.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.431 ' O ' HG22 ' A' ' 21' ' ' THR . 1.3 t60 -63.72 -51.27 65.72 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.99 0.916 . . . . 0.0 110.047 171.421 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -54.63 -44.08 72.87 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.765 1.226 . . . . 0.0 112.52 178.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -65.47 -36.34 83.59 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.671 1.188 . . . . 0.0 113.38 170.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -69.82 -43.1 72.72 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 120.95 -1.094 . . . . 0.0 112.276 -176.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.431 HG22 ' O ' ' A' ' 17' ' ' HIS . 3.2 t -82.96 -18.24 40.66 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 177.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -147.36 98.05 4.01 Favored Pre-proline 0 CA--C 1.553 1.095 0 O-C-N 121.363 -0.836 . . . . 0.0 112.941 171.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -72.79 -36.01 5.15 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 123.367 2.711 . . . . 0.0 115.404 -163.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -86.54 -10.5 53.89 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -175.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.1 m -154.14 105.0 2.67 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 125.566 1.547 . . . . 0.0 109.259 -178.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -70.27 61.19 0.21 Allowed 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.143 1.777 . . . . 0.0 113.792 -179.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.4 t -146.89 -1.89 0.65 Allowed 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 126.126 1.771 . . . . 0.0 113.458 -178.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -109.48 58.62 0.38 Allowed Glycine 0 N--CA 1.464 0.521 0 C-N-CA 126.396 1.951 . . . . 0.0 111.92 -163.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.4 m -45.81 -13.11 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 129.426 3.09 . . . . 0.0 116.702 177.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -141.12 41.06 1.29 Allowed Glycine 0 CA--C 1.538 1.523 0 C-N-CA 125.864 1.697 . . . . 0.0 114.646 175.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.1 m 40.38 74.98 0.64 Allowed Pre-proline 0 N--CA 1.486 1.328 0 C-N-CA 127.639 2.376 . . . . 0.0 114.735 -177.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.4 -19.9 24.01 Favored 'Trans proline' 0 CA--C 1.544 1.004 0 C-N-CA 124.359 3.373 . . . . 0.0 116.009 174.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 O-C-N 120.248 -1.533 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 34.1 t . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.619 0.247 . . . . 0.0 110.616 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -173.88 -24.41 0.02 OUTLIER Glycine 0 CA--C 1.539 1.541 0 C-N-CA 125.568 1.556 . . . . 0.0 114.123 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -150.77 168.15 25.27 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.649 1.979 . . . . 0.0 110.359 172.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -51.62 -52.41 47.9 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.258 1.423 . . . . 0.0 112.423 -178.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.5 m -63.58 -33.47 75.67 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.123 0.969 . . . . 0.0 112.203 -176.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.8 m -71.92 -40.73 68.59 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.182 0.993 . . . . 0.0 111.305 174.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.5 m -62.53 -36.86 83.93 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.51 -0.744 . . . . 0.0 112.724 169.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 36.1 mmt -69.39 -38.61 78.07 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.603 1.092 . . . . 0.0 111.94 175.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tt -65.93 -38.89 89.84 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.326 1.05 . . . . 0.0 111.173 173.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.36 -39.82 94.37 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 124.727 1.156 . . . . 0.0 112.191 174.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.4 m -67.84 -41.93 82.19 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.02 0.928 . . . . 0.0 110.897 175.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.433 HD21 ' CE2' ' A' ' 16' ' ' PHE . 4.2 tt -58.9 -42.87 90.62 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.44 1.096 . . . . 0.0 112.002 171.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.5 m -68.23 -38.49 81.92 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.101 0.961 . . . . 0.0 111.221 177.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -66.44 -37.49 85.27 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.894 1.278 . . . . 0.0 111.067 175.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -70.47 -40.66 73.52 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.441 1.496 . . . . 0.0 111.095 176.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.433 ' CE2' HD21 ' A' ' 12' ' ' LEU . 14.8 m-30 -61.0 -39.12 88.48 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.47 -0.769 . . . . 0.0 112.768 169.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -64.61 -44.1 91.65 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.169 1.387 . . . . 0.0 111.617 174.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -57.09 -56.72 18.08 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.848 1.259 . . . . 0.0 111.115 172.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -55.5 -33.82 64.07 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.13 1.372 . . . . 0.0 113.105 176.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -68.3 -41.84 80.33 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 124.221 1.008 . . . . 0.0 112.451 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 t -83.61 -22.1 32.34 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 112.818 0.674 . . . . 0.0 112.818 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -174.33 154.57 2.08 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 126.574 1.95 . . . . 0.0 112.091 168.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -70.14 -42.86 2.68 Favored 'Trans proline' 0 CA--C 1.542 0.887 0 C-N-CA 121.906 1.737 . . . . 0.0 113.187 174.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -87.91 -13.27 42.37 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 -172.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.8 t -67.3 -6.83 20.31 Favored 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 178.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -55.22 -16.74 3.5 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.499 1.52 . . . . 0.0 114.867 176.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.1 t -64.43 -14.02 54.52 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 168.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -146.84 -95.86 0.17 Allowed Glycine 0 CA--C 1.531 1.093 0 C-N-CA 125.546 1.546 . . . . 0.0 113.279 -178.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.7 p -156.48 -48.84 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 -172.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -176.74 63.93 0.09 OUTLIER Glycine 0 N--CA 1.467 0.726 0 O-C-N 121.594 -0.691 . . . . 0.0 113.169 -164.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 17.3 p -56.85 -30.07 7.19 Favored Pre-proline 0 N--CA 1.476 0.845 0 N-CA-C 117.35 2.352 . . . . 0.0 117.35 -176.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -82.18 -4.04 11.72 Favored 'Trans proline' 0 CA--C 1.545 1.058 0 CA-C-N 123.554 2.305 . . . . 0.0 113.542 177.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 O-C-N 119.97 -1.706 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 33.8 t . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.632 0.253 . . . . 0.0 110.62 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -174.6 -24.52 0.03 OUTLIER Glycine 0 CA--C 1.54 1.594 0 C-N-CA 125.65 1.595 . . . . 0.0 114.025 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -151.0 168.13 25.52 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 126.679 1.991 . . . . 0.0 110.458 172.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -51.48 -52.39 47.03 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.288 1.435 . . . . 0.0 112.568 -178.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.0 m -63.38 -33.66 76.03 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.154 0.982 . . . . 0.0 112.194 -176.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.9 m -72.01 -41.04 68.05 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.262 1.025 . . . . 0.0 111.355 174.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 m -62.26 -37.65 86.28 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.572 -0.705 . . . . 0.0 112.762 170.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.4 mmm -68.66 -39.18 80.75 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.146 -0.971 . . . . 0.0 111.927 175.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tt -66.23 -38.95 89.14 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.346 1.059 . . . . 0.0 111.082 174.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.23 -39.57 94.49 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 124.634 1.111 . . . . 0.0 112.357 174.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.3 m -68.25 -41.02 81.74 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.036 0.934 . . . . 0.0 111.035 174.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.4 HD21 ' CE2' ' A' ' 16' ' ' PHE . 3.5 tt -60.34 -41.63 93.99 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.478 1.111 . . . . 0.0 112.04 171.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.5 m -68.88 -38.57 79.75 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.002 0.921 . . . . 0.0 110.988 177.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.5 tp60 -65.26 -35.57 81.45 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.993 1.317 . . . . 0.0 111.546 173.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -70.96 -42.05 70.28 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.673 1.189 . . . . 0.0 110.967 176.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.4 ' CE2' HD21 ' A' ' 12' ' ' LEU . 16.8 m-30 -63.98 -37.7 88.37 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 170.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -60.9 -45.39 94.81 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.765 1.226 . . . . 0.0 110.84 172.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -54.73 -55.41 30.15 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.177 0.991 . . . . 0.0 111.673 172.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -71.52 -18.58 62.26 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.793 1.034 . . . . 0.0 113.793 -176.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -70.67 -43.76 68.46 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.525 1.13 . . . . 0.0 112.099 170.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.6 t -80.03 -24.67 40.59 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -177.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -163.44 151.27 11.19 Favored Pre-proline 0 CA--C 1.552 1.031 0 C-N-CA 124.229 1.012 . . . . 0.0 113.463 -173.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -80.2 -40.11 0.23 Allowed 'Trans proline' 0 CA--C 1.546 1.075 0 C-N-CA 123.335 2.69 . . . . 0.0 114.138 170.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -84.39 5.24 27.89 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 125.445 1.498 . . . . 0.0 113.719 178.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.4 t -39.48 -30.35 0.07 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 130.557 3.543 . . . . 0.0 117.589 -171.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -58.72 -14.34 8.31 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.728 1.211 . . . . 0.0 113.902 175.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.4 t -59.04 -17.74 28.29 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 166.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -168.43 -90.0 0.08 OUTLIER Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.745 1.641 . . . . 0.0 113.13 171.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.7 p -165.13 -28.52 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 C-N-CA 125.123 1.369 . . . . 0.0 114.335 -175.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -167.37 47.01 0.25 Allowed Glycine 0 N--CA 1.47 0.933 0 C-N-CA 125.588 1.565 . . . . 0.0 109.904 -169.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.9 p -148.47 122.19 4.74 Favored Pre-proline 0 N--CA 1.469 0.485 0 C-N-CA 124.964 1.306 . . . . 0.0 110.356 -145.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -71.78 -18.52 28.38 Favored 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 123.245 2.63 . . . . 0.0 114.268 -174.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 O-C-N 120.267 -1.521 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 5.1 t . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 161.1 -32.84 0.37 Allowed Glycine 0 N--CA 1.481 1.694 0 C-N-CA 124.255 0.931 . . . . 0.0 113.928 177.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.495 ' H ' ' HB ' ' A' ' 6' ' ' THR . 26.0 m-80 -137.8 172.22 13.27 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 128.531 2.732 . . . . 0.0 107.234 166.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.08 -54.17 49.75 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.873 0.761 . . . . 0.0 111.511 177.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.1 p -58.25 -40.36 81.56 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 126.462 1.905 . . . . 0.0 112.995 177.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.495 ' HB ' ' H ' ' A' ' 3' ' ' ASN . 23.9 m -66.21 -40.13 90.11 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.5 1.12 . . . . 0.0 111.019 176.176 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.93 -39.88 94.18 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.303 1.041 . . . . 0.0 112.256 173.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 92.1 mmm -68.0 -38.59 82.82 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.466 -0.771 . . . . 0.0 111.946 175.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.4 tt -66.52 -39.04 88.42 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.629 1.172 . . . . 0.0 111.129 174.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.39 -39.96 94.35 Favored Glycine 0 CA--C 1.528 0.879 0 C-N-CA 124.462 1.029 . . . . 0.0 112.31 174.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.3 m -68.33 -40.03 81.73 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.243 1.017 . . . . 0.0 110.994 175.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.1 tt -60.3 -44.05 95.73 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.078 0.951 . . . . 0.0 111.526 170.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.8 m -66.87 -38.12 85.72 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.224 -0.922 . . . . 0.0 111.012 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -63.24 -35.44 80.34 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.325 1.45 . . . . 0.0 111.28 172.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -72.18 -39.29 68.77 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.603 1.161 . . . . 0.0 111.93 177.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -66.88 -36.55 82.56 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 121.22 -0.925 . . . . 0.0 113.328 169.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -58.71 -45.66 89.05 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.687 1.195 . . . . 0.0 110.87 172.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -54.23 -61.31 2.39 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.684 1.193 . . . . 0.0 110.97 171.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -68.29 -17.75 64.36 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 -175.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -72.65 -50.2 26.68 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.245 1.418 . . . . 0.0 112.162 170.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.2 t -76.01 -21.35 56.97 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -174.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -165.78 139.92 3.76 Favored Pre-proline 0 CA--C 1.547 0.828 0 C-N-CA 125.797 1.639 . . . . 0.0 110.426 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -66.78 -25.64 45.8 Favored 'Trans proline' 0 CA--C 1.543 0.949 0 C-N-CA 122.438 2.092 . . . . 0.0 114.252 173.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -114.73 -0.53 13.53 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 -169.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.1 t -67.82 2.26 2.08 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 115.027 1.492 . . . . 0.0 115.027 -178.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -50.96 -19.79 1.14 Allowed 'General case' 0 CA--C 1.554 1.115 0 O-C-N 120.528 -1.357 . . . . 0.0 113.683 165.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.7 t -65.52 -15.97 63.21 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 115.552 1.686 . . . . 0.0 115.552 168.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -154.07 -99.8 0.18 Allowed Glycine 0 CA--C 1.535 1.305 0 C-N-CA 126.476 1.988 . . . . 0.0 112.155 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.5 p -162.37 -38.01 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 N-CA-C 115.249 1.574 . . . . 0.0 115.249 -177.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -158.51 48.88 0.42 Allowed Glycine 0 N--CA 1.47 0.93 0 C-N-CA 125.01 1.29 . . . . 0.0 110.324 -173.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.4 p -148.72 142.55 16.3 Favored Pre-proline 0 CA--C 1.537 0.472 0 C-N-CA 125.166 1.386 . . . . 0.0 111.551 -147.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -69.59 -30.99 22.16 Favored 'Trans proline' 0 CA--C 1.542 0.875 0 C-N-CA 122.296 1.998 . . . . 0.0 113.078 -176.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 O-C-N 120.4 -1.437 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 32.9 t . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.569 0.223 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -174.94 -25.53 0.03 OUTLIER Glycine 0 CA--C 1.539 1.556 0 C-N-CA 125.566 1.555 . . . . 0.0 113.966 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -150.35 168.1 25.09 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.718 2.007 . . . . 0.0 110.462 171.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -51.57 -51.83 52.2 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.47 1.508 . . . . 0.0 112.539 -177.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.6 m -64.37 -33.12 75.12 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.446 1.098 . . . . 0.0 112.383 -177.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 96.1 m -71.92 -40.21 68.94 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.058 0.943 . . . . 0.0 111.274 174.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.6 m -62.17 -36.98 83.53 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.575 -0.703 . . . . 0.0 112.762 169.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.2 mmt -68.15 -40.33 82.43 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.448 1.022 . . . . 0.0 111.855 174.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tt -66.13 -39.02 89.55 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.423 1.089 . . . . 0.0 111.091 175.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.46 -39.71 94.16 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 124.745 1.164 . . . . 0.0 112.148 175.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.0 m -68.08 -42.28 80.62 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.053 0.941 . . . . 0.0 110.967 175.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.427 HD21 ' CE2' ' A' ' 16' ' ' PHE . 4.0 tt -58.41 -43.4 88.6 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.518 1.127 . . . . 0.0 111.87 171.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.7 m -68.03 -38.31 82.37 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.318 1.047 . . . . 0.0 111.252 177.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.6 tp60 -66.5 -36.83 83.7 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.71 1.204 . . . . 0.0 111.296 175.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.06 -46.14 75.27 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.018 1.327 . . . . 0.0 110.426 173.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.427 ' CE2' HD21 ' A' ' 12' ' ' LEU . 14.9 m-30 -59.42 -39.01 82.14 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.57 -0.706 . . . . 0.0 112.809 173.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -63.7 -45.73 88.7 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.371 1.469 . . . . 0.0 111.251 174.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -58.83 -56.42 22.4 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.392 1.077 . . . . 0.0 111.605 174.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -57.78 -31.45 66.55 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.227 1.011 . . . . 0.0 112.679 177.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -69.23 -47.58 64.32 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.43 1.092 . . . . 0.0 112.35 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.8 t -75.29 -27.48 59.37 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -166.58 125.48 1.1 Allowed Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 126.04 1.736 . . . . 0.0 110.686 177.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -62.05 -27.37 79.17 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 122.587 2.191 . . . . 0.0 114.348 -177.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -100.76 -4.45 28.07 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.606 1.562 . . . . 0.0 114.862 -176.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 t -79.11 -1.86 37.94 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -177.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -56.26 -18.15 9.65 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 116.021 1.86 . . . . 0.0 116.021 -167.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.1 t -77.85 -7.43 56.66 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 115.08 1.511 . . . . 0.0 115.08 171.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -131.87 -99.49 0.77 Allowed Glycine 0 CA--C 1.533 1.217 0 C-N-CA 126.246 1.879 . . . . 0.0 112.807 -172.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.9 p -166.48 -44.0 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 -176.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 178.66 59.62 0.07 OUTLIER Glycine 0 N--CA 1.47 0.956 0 CA-C-N 119.038 0.835 . . . . 0.0 113.273 -164.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.0 t -151.83 146.98 19.22 Favored Pre-proline 0 N--CA 1.476 0.836 0 C-N-CA 125.06 1.344 . . . . 0.0 111.812 -170.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -62.96 -24.44 74.06 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.5 2.134 . . . . 0.0 113.065 172.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.269 0 O-C-N 120.37 -1.456 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.409 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -58.24 -38.08 88.91 Favored Glycine 0 CA--C 1.538 1.508 0 O-C-N 121.405 -0.809 . . . . 0.0 114.289 177.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -162.13 171.65 17.1 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.801 2.04 . . . . 0.0 110.602 174.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 tt -53.66 -51.66 62.44 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.802 1.641 . . . . 0.0 112.296 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.7 m -63.74 -30.78 71.84 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.058 0.943 . . . . 0.0 112.549 -178.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 89.1 m -72.28 -39.75 68.09 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.535 1.134 . . . . 0.0 111.257 173.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 83.1 m -59.35 -39.0 81.81 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 166.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 92.6 mmm -68.56 -38.05 80.44 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 119.504 1.047 . . . . 0.0 112.011 176.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.4 tt -66.5 -39.24 88.61 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.42 1.088 . . . . 0.0 111.035 174.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.23 -39.21 94.36 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 124.736 1.16 . . . . 0.0 112.286 174.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.5 m -69.65 -40.44 76.47 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.006 0.922 . . . . 0.0 111.087 175.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.417 HD21 ' CE2' ' A' ' 16' ' ' PHE . 4.0 tt -59.13 -42.64 91.12 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.464 1.106 . . . . 0.0 111.815 170.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.5 m -67.67 -37.79 82.84 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.2 1.0 . . . . 0.0 111.036 177.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -66.36 -39.74 89.32 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.64 1.176 . . . . 0.0 111.423 174.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -67.45 -41.4 84.76 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.607 1.563 . . . . 0.0 110.252 177.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.417 ' CE2' HD21 ' A' ' 12' ' ' LEU . 15.4 m-30 -63.13 -38.6 91.81 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.396 -0.815 . . . . 0.0 112.995 170.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -61.68 -45.32 94.51 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.839 1.255 . . . . 0.0 111.309 172.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -55.31 -53.29 58.01 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.422 1.489 . . . . 0.0 111.881 173.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -68.65 -23.14 64.38 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 177.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -69.79 -44.14 70.67 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.763 0.825 . . . . 0.0 111.785 171.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.5 t -81.4 -21.24 39.11 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -148.69 101.34 3.47 Favored Pre-proline 0 CA--C 1.547 0.834 0 C-N-CA 124.891 1.276 . . . . 0.0 112.182 173.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -74.93 -30.18 7.56 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 124.243 3.296 . . . . 0.0 114.615 -168.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -83.71 -8.08 59.34 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.258 1.423 . . . . 0.0 114.41 -170.365 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.7 m 149.92 129.14 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.346 1 C-N-CA 132.088 4.155 . . . . 0.0 108.835 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -139.08 142.58 38.14 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.919 1.288 . . . . 0.0 109.754 167.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.9 t -127.41 -3.07 6.18 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 114.856 1.428 . . . . 0.0 114.856 -168.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -138.34 -82.46 0.1 OUTLIER Glycine 0 CA--C 1.528 0.9 0 C-N-CA 124.327 0.965 . . . . 0.0 113.472 -175.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.9 t -143.29 -64.97 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 125.371 1.469 . . . . 0.0 109.085 178.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -124.28 52.14 0.8 Allowed Glycine 0 N--CA 1.47 0.906 0 C-N-CA 127.28 2.371 . . . . 0.0 109.273 175.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.3 m -132.47 81.74 59.18 Favored Pre-proline 0 N--CA 1.475 0.797 0 C-N-CA 124.493 1.117 . . . . 0.0 110.196 -149.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -68.49 149.23 74.37 Favored 'Trans proline' 0 CA--C 1.537 0.639 0 C-N-CA 122.872 2.381 . . . . 0.0 112.945 -168.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 O-C-N 120.847 -1.158 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 51.7 t . . . . . 0 N--CA 1.485 1.285 0 N-CA-C 110.834 -0.062 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -143.01 7.97 2.16 Favored Glycine 0 CA--C 1.539 1.584 0 C-N-CA 124.464 1.03 . . . . 0.0 115.004 172.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -160.83 160.3 30.95 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.891 1.676 . . . . 0.0 111.141 -175.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.9 tt -56.87 -54.09 50.46 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.56 1.144 . . . . 0.0 112.223 -173.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.4 m -64.36 -32.99 74.82 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.96 0.904 . . . . 0.0 111.872 -172.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 53.1 m -72.53 -42.82 64.32 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.663 0.785 . . . . 0.0 111.195 174.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.7 m -63.59 -34.65 78.29 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 171.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.2 mmt -68.65 -39.46 80.68 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 120.016 1.28 . . . . 0.0 111.773 173.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.2 tt -66.02 -38.94 89.7 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.192 0.997 . . . . 0.0 111.1 174.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.55 -39.64 93.98 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 124.823 1.202 . . . . 0.0 112.217 175.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.4 m -67.98 -42.31 81.0 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.82 0.848 . . . . 0.0 110.946 174.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.456 HD21 ' CE2' ' A' ' 16' ' ' PHE . 3.9 tt -58.6 -43.46 89.54 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.362 1.065 . . . . 0.0 111.881 171.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 91.8 m -67.76 -37.8 82.59 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.543 1.137 . . . . 0.0 111.291 178.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.9 tp60 -64.58 -39.32 93.52 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.634 1.174 . . . . 0.0 110.606 173.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.41 -37.29 68.7 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.321 -0.862 . . . . 0.0 111.522 178.279 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.456 ' CE2' HD21 ' A' ' 12' ' ' LEU . 14.4 m-30 -61.34 -39.01 88.98 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.331 -0.856 . . . . 0.0 112.834 168.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.18 -46.32 89.46 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.531 1.132 . . . . 0.0 110.874 173.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -59.26 -49.52 77.51 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 125.05 1.34 . . . . 0.0 111.682 177.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -61.23 -33.15 73.03 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 172.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -70.2 -44.26 69.03 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.265 1.026 . . . . 0.0 112.252 -176.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.5 t -71.14 -29.62 65.46 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 111.586 0.217 . . . . 0.0 111.586 -178.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -165.18 127.33 1.49 Allowed Pre-proline 0 CA--C 1.547 0.841 0 C-N-CA 126.549 1.94 . . . . 0.0 109.807 172.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -64.22 -31.84 63.35 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 122.133 1.889 . . . . 0.0 113.65 -177.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -89.27 -10.26 47.55 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.323 1.449 . . . . 0.0 114.485 -178.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -80.03 -6.08 56.96 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 -177.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -58.89 -17.84 27.77 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 -168.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.6 t -70.13 -10.88 60.19 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 169.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -130.88 -100.28 0.85 Allowed Glycine 0 CA--C 1.532 1.106 0 C-N-CA 127.184 2.326 . . . . 0.0 111.007 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.6 p -160.65 -43.82 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 N-CA-C 116.134 1.902 . . . . 0.0 116.134 175.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -173.9 62.9 0.12 Allowed Glycine 0 N--CA 1.472 1.036 0 CA-C-N 119.514 1.052 . . . . 0.0 114.098 -161.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.0 t -154.28 147.68 18.38 Favored Pre-proline 0 N--CA 1.478 0.937 0 C-N-CA 125.113 1.365 . . . . 0.0 111.75 -174.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -62.85 -25.72 74.54 Favored 'Trans proline' 0 CA--C 1.543 0.955 0 C-N-CA 122.121 1.881 . . . . 0.0 112.769 172.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.253 0 O-C-N 120.343 -1.473 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 33.7 t . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.66 0.267 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -174.66 -24.61 0.03 OUTLIER Glycine 0 CA--C 1.539 1.579 0 C-N-CA 125.726 1.631 . . . . 0.0 114.152 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -150.99 168.18 25.34 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.68 1.992 . . . . 0.0 110.454 172.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -51.48 -52.39 47.03 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.318 1.447 . . . . 0.0 112.532 -178.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.1 m -63.5 -33.58 75.89 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.144 0.978 . . . . 0.0 112.168 -176.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 95.1 m -72.1 -40.9 67.85 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.209 1.004 . . . . 0.0 111.377 174.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 m -62.31 -37.62 86.26 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.531 -0.73 . . . . 0.0 112.714 170.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.4 mmm -68.84 -38.89 80.12 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.324 0.966 . . . . 0.0 111.875 175.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.2 tt -66.4 -38.81 88.32 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.313 1.045 . . . . 0.0 111.144 174.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.66 -40.0 93.9 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 124.664 1.126 . . . . 0.0 112.304 175.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.6 m -68.6 -39.55 80.82 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.073 0.949 . . . . 0.0 111.099 175.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.2 tt -61.23 -42.97 99.54 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.949 0.9 . . . . 0.0 111.781 170.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 91.1 m -66.81 -38.08 85.77 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.005 -1.059 . . . . 0.0 110.666 178.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -65.47 -36.92 85.33 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.832 1.253 . . . . 0.0 111.411 172.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -65.6 -43.18 90.43 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.835 1.254 . . . . 0.0 110.386 175.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -65.42 -40.14 92.98 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 172.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -55.09 -47.1 75.39 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.679 1.192 . . . . 0.0 110.505 170.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 tmmm? -66.2 -48.12 71.65 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 125.831 1.652 . . . . 0.0 112.017 -175.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -64.76 -19.1 65.62 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.638 1.175 . . . . 0.0 113.444 173.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -83.29 -46.87 12.13 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.15 0.98 . . . . 0.0 113.103 173.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.7 t -85.72 -14.81 44.23 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -172.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.459 ' CD2' ' HD2' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -153.57 171.11 7.29 Favored Pre-proline 0 CA--C 1.55 0.973 0 C-N-CA 126.612 1.965 . . . . 0.0 109.808 174.009 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.459 ' HD2' ' CD2' ' A' ' 22' ' ' PHE . 8.3 Cg_exo -61.54 -55.95 0.99 Allowed 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.077 1.851 . . . . 0.0 111.515 172.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -164.77 -40.51 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 115.29 1.589 . . . . 0.0 115.29 -177.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.5 m -46.16 -65.5 0.54 Allowed 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 117.189 2.292 . . . . 0.0 117.189 -138.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -78.6 68.5 4.6 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.905 1.282 . . . . 0.0 111.729 -178.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.4 t -40.19 -18.59 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 120.979 3.696 . . . . 0.0 120.979 -154.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.23 -48.09 60.66 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 125.031 1.3 . . . . 0.0 114.001 169.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.7 m -129.09 -19.07 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 126.547 1.939 . . . . 0.0 113.567 -175.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.5 -43.75 2.77 Favored Glycine 0 CA--C 1.523 0.547 0 C-N-CA 127.604 2.526 . . . . 0.0 111.209 173.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.0 p -65.45 144.32 98.93 Favored Pre-proline 0 N--CA 1.471 0.593 0 C-N-CA 126.066 1.746 . . . . 0.0 112.651 -176.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -80.05 -3.17 12.56 Favored 'Trans proline' 0 CA--C 1.545 1.061 0 C-N-CA 123.442 2.761 . . . . 0.0 114.547 -165.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 O-C-N 120.051 -1.656 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_