data_2n30_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 2n30 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 59.9 t80 . . . . . 0 N--CA 1.443 -0.823 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.17 -23.95 76.57 Favored Glycine 0 C--N 1.356 1.664 0 N-CA-C 111.66 -0.576 . . . . 0.0 111.66 178.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 59.5 m170 -81.44 -23.26 37.63 Favored 'General case' 0 C--N 1.357 0.902 0 C-N-CA 124.931 1.292 . . . . 0.0 109.841 176.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -78.05 -27.98 15.04 Favored 'Isoleucine or valine' 0 C--N 1.354 0.799 0 C-N-CA 124.831 1.253 . . . . 0.0 109.404 179.085 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -78.67 -9.47 59.41 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 123.923 0.889 . . . . 0.0 111.81 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 64.1 t -71.72 -31.1 40.54 Favored 'Isoleucine or valine' 0 C--N 1.357 0.906 0 C-N-CA 124.203 1.001 . . . . 0.0 109.486 175.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.74 -26.83 55.04 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 125.24 1.416 . . . . 0.0 109.469 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.0 t -76.19 -33.22 23.75 Favored 'Isoleucine or valine' 0 C--N 1.357 0.91 0 C-N-CA 124.964 1.306 . . . . 0.0 108.849 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -73.93 -33.9 64.11 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 123.851 0.86 . . . . 0.0 110.266 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -75.91 -27.56 57.7 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 124.654 1.181 . . . . 0.0 110.23 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -73.16 -42.92 62.26 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 124.128 0.971 . . . . 0.0 109.783 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.525 0 C-N-CA 123.511 0.577 . . . . 0.0 112.313 -177.404 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 52.9 t80 . . . . . 0 N--CA 1.44 -0.941 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.53 -24.82 69.4 Favored Glycine 0 C--N 1.356 1.668 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 178.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -85.45 -26.02 26.59 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 124.236 1.014 . . . . 0.0 109.589 176.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -74.73 -25.48 18.97 Favored 'Isoleucine or valine' 0 C--N 1.357 0.915 0 C-N-CA 124.499 1.119 . . . . 0.0 109.57 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -74.97 -17.9 60.47 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 125.632 1.573 . . . . 0.0 111.218 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 49.1 t -73.4 -28.6 25.71 Favored 'Isoleucine or valine' 0 C--N 1.357 0.912 0 C-N-CA 124.818 1.247 . . . . 0.0 110.048 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -78.91 -23.64 44.62 Favored 'General case' 0 CA--C 1.509 -0.61 0 C-N-CA 124.017 0.927 . . . . 0.0 109.88 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.0 t -76.21 -34.68 26.44 Favored 'Isoleucine or valine' 0 C--N 1.357 0.921 0 C-N-CA 124.655 1.182 . . . . 0.0 108.581 177.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -70.48 -30.57 67.4 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 124.391 1.077 . . . . 0.0 111.025 178.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -89.75 -12.79 38.32 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 123.22 0.608 . . . . 0.0 110.88 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -80.6 -60.08 2.45 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.443 0 CA-C-O 118.951 -0.916 . . . . 0.0 112.528 -173.926 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 . . . . . 0 CA--C 1.507 -0.708 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.47 -14.5 78.28 Favored Glycine 0 C--N 1.355 1.598 0 C-N-CA 124.34 0.971 . . . . 0.0 111.82 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -76.52 -28.83 56.52 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 124.0 0.92 . . . . 0.0 109.597 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 72.8 mt -73.93 -34.84 40.68 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 C-N-CA 125.225 1.41 . . . . 0.0 108.412 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -68.94 -40.31 79.06 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 123.55 0.74 . . . . 0.0 111.156 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.9 t -70.41 -29.24 38.1 Favored 'Isoleucine or valine' 0 C--N 1.357 0.896 0 C-N-CA 125.119 1.368 . . . . 0.0 110.778 -178.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -66.97 -36.07 81.38 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 125.213 1.405 . . . . 0.0 111.742 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 73.5 t -74.48 -35.87 40.01 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 C-N-CA 125.245 1.418 . . . . 0.0 109.457 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -74.1 -30.73 62.48 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 123.877 0.871 . . . . 0.0 110.798 -177.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -78.96 -31.23 44.96 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 125.395 1.478 . . . . 0.0 109.232 -177.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.9 t-80 -75.75 -38.0 58.8 Favored 'General case' 0 C--N 1.353 0.741 0 C-N-CA 124.204 1.002 . . . . 0.0 109.591 178.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.59 0 C-N-CA 124.505 1.05 . . . . 0.0 112.15 -177.195 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 . . . . . 0 CA--C 1.506 -0.729 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.87 -19.18 63.82 Favored Glycine 0 C--N 1.355 1.635 0 C-N-CA 124.305 0.955 . . . . 0.0 111.009 177.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -83.08 -26.38 31.13 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 117.785 0.793 . . . . 0.0 109.535 177.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.7 mt -78.92 -31.62 15.08 Favored 'Isoleucine or valine' 0 C--N 1.356 0.887 0 C-N-CA 125.065 1.346 . . . . 0.0 107.928 178.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -68.02 -40.85 82.87 Favored 'General case' 0 C--N 1.353 0.745 0 C-N-CA 124.568 1.147 . . . . 0.0 111.179 -179.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 84.8 t -81.11 -19.31 11.52 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 C-N-CA 124.762 1.225 . . . . 0.0 110.119 -177.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -73.64 -29.79 62.55 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 124.803 1.241 . . . . 0.0 109.757 177.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 75.7 t -75.15 -30.67 23.4 Favored 'Isoleucine or valine' 0 C--N 1.356 0.86 0 C-N-CA 124.462 1.105 . . . . 0.0 109.07 175.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -79.43 -12.92 59.88 Favored 'General case' 0 C--N 1.356 0.874 0 O-C-N 121.637 -0.664 . . . . 0.0 111.529 178.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -93.13 -49.65 5.89 Favored 'General case' 0 CA--C 1.504 -0.82 0 C-N-CA 123.442 0.697 . . . . 0.0 109.645 177.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -69.23 -43.93 73.05 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 124.339 1.056 . . . . 0.0 110.613 -176.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 1.328 0 CA-C-O 118.802 -0.999 . . . . 0.0 112.003 -177.286 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 . . . . . 0 N--CA 1.444 -0.739 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.31 -4.87 80.4 Favored Glycine 0 C--N 1.356 1.668 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 171.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 -90.51 -34.06 15.7 Favored 'General case' 0 C--N 1.358 0.959 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 172.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.8 mp -72.4 -26.14 24.03 Favored 'Isoleucine or valine' 0 C--N 1.359 0.98 0 C-N-CA 125.978 1.711 . . . . 0.0 108.431 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -60.16 -38.71 84.0 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 125.784 1.634 . . . . 0.0 111.596 175.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.2 t -76.02 -27.47 18.16 Favored 'Isoleucine or valine' 0 C--N 1.357 0.921 0 C-N-CA 125.369 1.468 . . . . 0.0 110.847 -175.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -71.46 -38.68 71.27 Favored 'General case' 0 CA--C 1.505 -0.752 0 C-N-CA 124.308 1.043 . . . . 0.0 110.614 -179.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 82.8 t -77.36 -28.91 16.48 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 C-N-CA 125.453 1.501 . . . . 0.0 108.957 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -69.02 -39.28 79.35 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 124.994 1.318 . . . . 0.0 110.712 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -83.79 -19.79 34.41 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 124.487 1.115 . . . . 0.0 110.281 -177.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -75.03 -48.57 23.4 Favored 'General case' 0 C--N 1.354 0.8 0 C-N-CA 123.92 0.888 . . . . 0.0 109.885 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.515 0 N-CA-C 111.417 -0.673 . . . . 0.0 111.417 -176.342 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 12.9 p90 . . . . . 0 N--CA 1.444 -0.743 0 CA-C-O 121.412 0.625 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.39 -28.58 47.79 Favored Glycine 0 C--N 1.347 1.153 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 174.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -83.62 -30.8 26.63 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 124.262 1.025 . . . . 0.0 110.72 -177.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.9 tt -78.15 -17.95 13.77 Favored 'Isoleucine or valine' 0 C--N 1.356 0.873 0 C-N-CA 124.396 1.079 . . . . 0.0 110.246 -175.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -76.17 -38.16 56.97 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 125.421 1.488 . . . . 0.0 109.369 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.3 t -72.64 -30.11 32.62 Favored 'Isoleucine or valine' 0 C--N 1.356 0.868 0 C-N-CA 125.083 1.353 . . . . 0.0 109.838 -178.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.35 -27.58 69.42 Favored 'General case' 0 N--CA 1.439 -1.001 0 C-N-CA 126.098 1.759 . . . . 0.0 113.446 178.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.9 t -70.06 -40.99 79.09 Favored 'Isoleucine or valine' 0 C--N 1.359 0.989 0 C-N-CA 124.698 1.199 . . . . 0.0 109.411 178.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -72.44 -35.11 68.22 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 124.457 1.103 . . . . 0.0 110.097 -177.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -71.94 -29.02 63.85 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 125.342 1.457 . . . . 0.0 110.638 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -74.3 -16.46 60.93 Favored 'General case' 0 C--N 1.356 0.882 0 C-N-CA 124.77 1.228 . . . . 0.0 111.169 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 1.687 0 C-N-CA 124.249 0.928 . . . . 0.0 111.044 176.632 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 30.3 t80 . . . . . 0 N--CA 1.442 -0.872 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.26 -13.86 75.71 Favored Glycine 0 C--N 1.356 1.656 0 C-N-CA 124.437 1.017 . . . . 0.0 111.205 176.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -88.54 -27.18 21.58 Favored 'General case' 0 C--N 1.357 0.917 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 174.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -76.2 -24.11 16.15 Favored 'Isoleucine or valine' 0 C--N 1.357 0.901 0 C-N-CA 125.436 1.494 . . . . 0.0 108.9 176.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -72.76 -21.73 60.96 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 125.398 1.479 . . . . 0.0 111.03 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.8 t -72.92 -31.35 35.55 Favored 'Isoleucine or valine' 0 C--N 1.357 0.919 0 C-N-CA 124.669 1.188 . . . . 0.0 110.11 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.03 -31.61 64.55 Favored 'General case' 0 CA--C 1.511 -0.535 0 C-N-CA 124.571 1.148 . . . . 0.0 110.02 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 68.1 t -75.12 -34.52 31.86 Favored 'Isoleucine or valine' 0 C--N 1.356 0.854 0 C-N-CA 124.878 1.271 . . . . 0.0 108.991 178.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -69.85 -33.76 72.7 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 125.061 1.344 . . . . 0.0 110.399 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -81.04 -26.86 36.04 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 124.475 1.11 . . . . 0.0 110.345 -178.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -70.05 -45.72 66.51 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 124.574 1.15 . . . . 0.0 110.575 -176.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.502 0 N-CA-C 109.75 -1.34 . . . . 0.0 109.75 177.565 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.9 t80 . . . . . 0 N--CA 1.442 -0.827 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.6 -31.49 45.09 Favored Glycine 0 C--N 1.355 1.594 0 N-CA-C 109.594 -1.402 . . . . 0.0 109.594 171.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 -84.59 -14.23 49.37 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 124.238 1.015 . . . . 0.0 111.218 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.3 tp -78.9 -22.33 12.82 Favored 'Isoleucine or valine' 0 C--N 1.36 1.063 0 C-N-CA 123.106 0.562 . . . . 0.0 109.966 -177.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -77.43 -31.62 54.07 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 125.286 1.434 . . . . 0.0 109.512 177.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 45.7 t -76.11 -23.55 16.04 Favored 'Isoleucine or valine' 0 C--N 1.357 0.906 0 C-N-CA 125.238 1.415 . . . . 0.0 109.091 178.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -75.73 -24.16 56.11 Favored 'General case' 0 N--CA 1.443 -0.82 0 C-N-CA 124.911 1.285 . . . . 0.0 111.584 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.2 t -73.56 -38.76 52.92 Favored 'Isoleucine or valine' 0 C--N 1.358 0.953 0 C-N-CA 124.337 1.055 . . . . 0.0 108.425 175.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -73.54 -23.82 60.04 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 124.706 1.202 . . . . 0.0 110.317 178.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -75.07 -32.21 61.44 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 125.131 1.373 . . . . 0.0 109.413 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 52.5 m170 -80.78 -10.74 59.7 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 124.47 1.108 . . . . 0.0 110.841 177.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.592 0 N-CA-C 110.253 -1.139 . . . . 0.0 110.253 179.566 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 33.1 t80 . . . . . 0 N--CA 1.443 -0.787 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.85 -21.86 73.29 Favored Glycine 0 C--N 1.355 1.599 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 175.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.9 m80 -85.73 -27.75 25.06 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 124.232 1.013 . . . . 0.0 109.329 177.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.2 mt -82.22 -26.93 9.07 Favored 'Isoleucine or valine' 0 C--N 1.355 0.824 0 C-N-CA 125.397 1.479 . . . . 0.0 107.908 -176.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -70.84 -40.15 72.56 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 125.107 1.363 . . . . 0.0 110.503 178.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.2 t -78.76 -19.14 13.15 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 C-N-CA 124.835 1.254 . . . . 0.0 109.901 -177.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.1 -34.37 77.88 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 125.36 1.464 . . . . 0.0 112.119 176.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 43.7 t -73.97 -34.01 38.06 Favored 'Isoleucine or valine' 0 C--N 1.358 0.943 0 C-N-CA 125.264 1.426 . . . . 0.0 109.263 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -69.29 -37.14 77.68 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 124.661 1.184 . . . . 0.0 110.464 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -77.97 -23.06 48.56 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 124.033 0.933 . . . . 0.0 110.76 -178.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -73.28 -45.56 54.9 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 123.86 0.864 . . . . 0.0 109.187 177.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.604 0 C-N-CA 123.754 0.692 . . . . 0.0 112.058 -179.457 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 . . . . . 0 N--CA 1.444 -0.745 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.36 -30.95 11.13 Favored Glycine 0 C--N 1.355 1.598 0 N-CA-C 108.909 -1.676 . . . . 0.0 108.909 172.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -90.53 5.53 47.35 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 124.557 1.143 . . . . 0.0 110.659 -177.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.3 tp -70.19 -29.98 41.73 Favored 'Isoleucine or valine' 0 C--N 1.357 0.931 0 C-N-CA 124.598 1.159 . . . . 0.0 111.435 -172.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -75.66 -35.13 60.49 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 125.436 1.495 . . . . 0.0 108.987 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.1 t -73.87 -21.96 18.33 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 C-N-CA 125.432 1.493 . . . . 0.0 111.04 -171.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -69.62 -40.91 76.31 Favored 'General case' 0 CA--C 1.507 -0.69 0 C-N-CA 123.937 0.895 . . . . 0.0 110.452 176.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.6 t -75.38 -36.56 36.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 C-N-CA 125.22 1.408 . . . . 0.0 109.132 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -68.38 -45.6 72.29 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 125.427 1.491 . . . . 0.0 110.568 -176.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -77.95 -18.49 55.97 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 124.644 1.177 . . . . 0.0 110.723 -174.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -75.24 -45.25 41.4 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 123.626 0.77 . . . . 0.0 109.902 176.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 1.572 0 C-N-CA 123.823 0.725 . . . . 0.0 111.939 -176.562 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 . . . . . 0 N--CA 1.442 -0.852 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.54 -41.18 5.49 Favored Glycine 0 C--N 1.354 1.567 0 N-CA-C 109.372 -1.491 . . . . 0.0 109.372 177.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -84.34 -16.27 43.53 Favored 'General case' 0 C--N 1.355 0.847 0 C-N-CA 123.49 0.716 . . . . 0.0 111.56 -173.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.0 tt -73.19 -23.15 19.78 Favored 'Isoleucine or valine' 0 C--N 1.357 0.901 0 O-C-N 121.525 -0.734 . . . . 0.0 110.316 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -75.18 -30.73 60.75 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 125.417 1.487 . . . . 0.0 110.21 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.5 t -73.43 -31.72 34.32 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 C-N-CA 125.101 1.36 . . . . 0.0 109.364 179.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.42 ' HZ1' ' HB3' ' A' ' 14' ' ' LYS . 9.7 mtpm? -78.24 -0.44 28.62 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 125.364 1.466 . . . . 0.0 112.43 -178.563 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.7 t -83.39 -43.79 18.32 Favored 'Isoleucine or valine' 0 C--N 1.354 0.783 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 172.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -77.36 -30.71 53.96 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 124.503 1.121 . . . . 0.0 110.426 -177.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -78.55 -42.33 29.62 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 124.541 1.137 . . . . 0.0 110.155 -174.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -86.18 -12.57 49.43 Favored 'General case' 0 C--N 1.356 0.884 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -176.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 1.561 0 N-CA-C 110.136 -1.186 . . . . 0.0 110.136 175.166 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.4 t80 . . . . . 0 N--CA 1.442 -0.835 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.85 -2.17 90.64 Favored Glycine 0 C--N 1.357 1.741 0 C-N-CA 124.625 1.107 . . . . 0.0 111.447 174.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -86.65 -39.36 16.17 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 170.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.8 mp -68.91 -26.96 33.8 Favored 'Isoleucine or valine' 0 C--N 1.357 0.929 0 C-N-CA 126.181 1.792 . . . . 0.0 108.869 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -58.25 -41.22 83.74 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 125.873 1.669 . . . . 0.0 111.3 174.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.3 t -70.51 -29.53 38.96 Favored 'Isoleucine or valine' 0 C--N 1.357 0.928 0 C-N-CA 125.448 1.499 . . . . 0.0 111.519 -175.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.73 -38.63 70.44 Favored 'General case' 0 CA--C 1.51 -0.579 0 C-N-CA 123.913 0.885 . . . . 0.0 109.799 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.8 t -74.87 -30.91 24.78 Favored 'Isoleucine or valine' 0 C--N 1.355 0.812 0 C-N-CA 125.096 1.358 . . . . 0.0 109.607 -179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -68.38 -41.75 80.12 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 125.897 1.679 . . . . 0.0 110.079 -178.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -77.69 -31.68 52.58 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 125.044 1.337 . . . . 0.0 110.42 -177.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -72.09 -35.45 69.22 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 124.902 1.281 . . . . 0.0 110.444 -178.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 1.646 0 C-N-CA 124.042 0.829 . . . . 0.0 111.726 179.546 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 . . . . . 0 N--CA 1.447 -0.603 0 CA-C-O 120.43 0.157 . . . . 0.0 110.7 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.67 -34.97 7.52 Favored Glycine 0 C--N 1.353 1.489 0 N-CA-C 108.39 -1.884 . . . . 0.0 108.39 172.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -87.79 -1.33 57.9 Favored 'General case' 0 C--N 1.356 0.848 0 C-N-CA 124.627 1.171 . . . . 0.0 111.215 -177.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.7 tp -79.87 -23.19 11.89 Favored 'Isoleucine or valine' 0 C--N 1.358 0.966 0 C-N-CA 123.688 0.795 . . . . 0.0 108.894 178.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -78.56 -35.42 46.03 Favored 'General case' 0 N--CA 1.439 -0.985 0 C-N-CA 125.482 1.513 . . . . 0.0 108.867 178.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.0 t -71.06 -30.79 42.62 Favored 'Isoleucine or valine' 0 C--N 1.357 0.898 0 C-N-CA 125.728 1.611 . . . . 0.0 110.007 -178.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -65.67 -36.61 84.15 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 126.13 1.772 . . . . 0.0 111.812 178.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 89.3 t -75.08 -32.31 26.48 Favored 'Isoleucine or valine' 0 C--N 1.357 0.925 0 C-N-CA 125.23 1.412 . . . . 0.0 109.507 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -73.88 -30.61 62.73 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 123.599 0.76 . . . . 0.0 110.608 -179.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -80.27 -25.04 39.66 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 124.612 1.165 . . . . 0.0 110.092 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -78.98 -36.06 41.96 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 124.374 1.07 . . . . 0.0 109.489 179.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 1.654 0 C-N-CA 124.308 0.956 . . . . 0.0 111.262 -179.599 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 56.7 t80 . . . . . 0 N--CA 1.442 -0.853 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.78 -27.91 68.12 Favored Glycine 0 C--N 1.356 1.657 0 C-N-CA 124.033 0.825 . . . . 0.0 111.063 178.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -80.07 -39.74 29.1 Favored 'General case' 0 CA--C 1.503 -0.833 0 C-N-CA 123.726 0.81 . . . . 0.0 109.18 174.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.18 -27.84 36.55 Favored 'Isoleucine or valine' 0 C--N 1.357 0.928 0 C-N-CA 124.88 1.272 . . . . 0.0 111.755 -171.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -73.45 -42.34 62.09 Favored 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 124.685 1.194 . . . . 0.0 110.065 -177.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 63.8 t -77.12 -25.04 15.24 Favored 'Isoleucine or valine' 0 C--N 1.355 0.817 0 C-N-CA 125.484 1.513 . . . . 0.0 110.201 -177.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -73.05 -34.06 66.07 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 126.028 1.731 . . . . 0.0 110.041 -176.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.9 t -74.46 -34.56 36.28 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 C-N-CA 124.614 1.166 . . . . 0.0 109.396 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.9 m-30 -72.4 -33.24 67.02 Favored 'General case' 0 C--N 1.356 0.875 0 C-N-CA 123.722 0.809 . . . . 0.0 110.875 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.5 t-20 -81.31 -24.45 37.17 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 124.996 1.319 . . . . 0.0 109.623 -177.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -80.06 -26.73 39.56 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 124.087 0.955 . . . . 0.0 109.968 177.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 1.645 0 N-CA-C 110.494 -1.042 . . . . 0.0 110.494 177.813 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 . . . . . 0 N--CA 1.443 -0.792 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.94 -35.5 7.14 Favored Glycine 0 C--N 1.355 1.59 0 N-CA-C 108.613 -1.795 . . . . 0.0 108.613 173.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -91.11 9.83 29.36 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 124.734 1.214 . . . . 0.0 110.357 -177.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.1 tp -67.59 -33.19 60.55 Favored 'Isoleucine or valine' 0 C--N 1.357 0.908 0 C-N-CA 124.514 1.126 . . . . 0.0 111.857 -173.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -80.15 -27.04 39.11 Favored 'General case' 0 C--N 1.355 0.847 0 C-N-CA 124.489 1.116 . . . . 0.0 110.057 -177.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.8 t -72.99 -28.66 27.01 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 C-N-CA 124.709 1.204 . . . . 0.0 110.126 -176.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -70.09 -41.1 74.51 Favored 'General case' 0 CA--C 1.508 -0.649 0 C-N-CA 125.322 1.449 . . . . 0.0 110.238 178.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 89.9 t -71.15 -35.33 58.05 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 C-N-CA 125.052 1.341 . . . . 0.0 109.565 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -72.35 -26.91 62.1 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 125.42 1.488 . . . . 0.0 110.595 -178.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -81.75 -42.11 20.26 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 124.639 1.175 . . . . 0.0 109.497 -178.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 59.2 m170 -72.68 -38.19 67.67 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 124.821 1.248 . . . . 0.0 110.759 -174.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.52 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 177.398 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 43.3 t80 . . . . . 0 N--CA 1.442 -0.864 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.23 -12.18 83.49 Favored Glycine 0 C--N 1.357 1.706 0 C-N-CA 124.08 0.848 . . . . 0.0 111.638 177.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -88.83 -31.75 18.16 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 124.355 1.062 . . . . 0.0 108.738 173.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.6 mp -73.91 -26.18 21.07 Favored 'Isoleucine or valine' 0 C--N 1.357 0.902 0 C-N-CA 125.331 1.452 . . . . 0.0 108.646 178.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -66.68 -30.36 70.59 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 125.324 1.45 . . . . 0.0 111.346 178.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.0 t -71.97 -31.77 41.7 Favored 'Isoleucine or valine' 0 C--N 1.358 0.937 0 C-N-CA 124.83 1.252 . . . . 0.0 110.372 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -73.95 -34.0 64.12 Favored 'General case' 0 CA--C 1.508 -0.665 0 C-N-CA 125.154 1.382 . . . . 0.0 111.205 -176.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.4 t -73.63 -36.77 48.05 Favored 'Isoleucine or valine' 0 C--N 1.357 0.908 0 C-N-CA 125.007 1.323 . . . . 0.0 108.714 179.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -68.88 -38.43 79.66 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 124.512 1.125 . . . . 0.0 110.031 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -73.7 -21.79 60.13 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 124.911 1.284 . . . . 0.0 111.067 -175.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -70.4 -46.93 63.01 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 123.732 0.813 . . . . 0.0 110.512 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.487 0 CA-C-O 119.754 -0.47 . . . . 0.0 112.756 -176.156 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 12.7 p90 . . . . . 0 N--CA 1.443 -0.825 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.91 -7.98 80.06 Favored Glycine 0 C--N 1.353 1.522 0 C-N-CA 124.471 1.034 . . . . 0.0 111.593 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -87.54 -39.59 15.0 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 174.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.4 mt -74.29 -24.59 19.06 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 C-N-CA 125.433 1.493 . . . . 0.0 108.654 -177.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -62.16 -33.0 73.67 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 125.572 1.549 . . . . 0.0 111.754 175.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.4 t -74.7 -29.9 23.93 Favored 'Isoleucine or valine' 0 C--N 1.358 0.956 0 C-N-CA 124.917 1.287 . . . . 0.0 110.666 -178.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.08 -32.97 61.61 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 124.304 1.042 . . . . 0.0 110.124 -179.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 69.8 t -74.16 -35.44 40.85 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 C-N-CA 124.685 1.194 . . . . 0.0 108.823 178.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -71.2 -33.65 70.13 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 124.647 1.179 . . . . 0.0 110.32 179.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -74.38 -31.19 62.28 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 124.84 1.256 . . . . 0.0 109.942 -177.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -75.68 -39.89 56.76 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 124.653 1.181 . . . . 0.0 109.802 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.636 0 C-N-CA 124.2 0.905 . . . . 0.0 112.009 -176.975 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 35.0 t80 . . . . . 0 N--CA 1.44 -0.94 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.17 -33.58 17.16 Favored Glycine 0 C--N 1.354 1.582 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 175.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -91.79 17.83 8.51 Favored 'General case' 0 C--N 1.353 0.761 0 C-N-CA 125.041 1.337 . . . . 0.0 110.214 -178.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.6 tp -72.0 -27.56 27.62 Favored 'Isoleucine or valine' 0 C--N 1.359 0.986 0 C-N-CA 124.509 1.124 . . . . 0.0 111.674 -172.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -71.07 -36.2 72.19 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 124.68 1.192 . . . . 0.0 110.096 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 89.3 t -75.97 -31.8 22.51 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 C-N-CA 125.357 1.463 . . . . 0.0 110.255 -177.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -69.65 -31.1 69.0 Favored 'General case' 0 CA--C 1.51 -0.577 0 C-N-CA 125.082 1.353 . . . . 0.0 111.25 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.9 t -74.08 -36.43 44.31 Favored 'Isoleucine or valine' 0 C--N 1.355 0.838 0 C-N-CA 124.477 1.111 . . . . 0.0 109.166 177.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -65.88 -52.81 46.95 Favored 'General case' 0 C--N 1.357 0.934 0 C-N-CA 123.575 0.75 . . . . 0.0 111.39 -178.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.3 p30 -79.55 -5.68 55.42 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 113.313 0.856 . . . . 0.0 113.313 -173.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -75.42 -53.33 8.88 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 123.494 0.718 . . . . 0.0 109.382 175.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.456 0 N-CA-C 111.988 -0.445 . . . . 0.0 111.988 -172.203 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 . . . . . 0 N--CA 1.446 -0.67 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.97 -33.89 7.98 Favored Glycine 0 C--N 1.352 1.435 0 N-CA-C 108.009 -2.037 . . . . 0.0 108.009 168.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -90.48 -3.9 57.33 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 124.327 1.051 . . . . 0.0 111.004 -177.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.5 tp -78.15 -21.97 13.53 Favored 'Isoleucine or valine' 0 C--N 1.359 1.0 0 C-N-CA 123.561 0.745 . . . . 0.0 109.574 179.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -72.96 -33.83 66.11 Favored 'General case' 0 C--N 1.359 0.983 0 C-N-CA 126.127 1.771 . . . . 0.0 108.973 177.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.2 t -72.48 -22.45 20.52 Favored 'Isoleucine or valine' 0 C--N 1.356 0.86 0 C-N-CA 125.651 1.58 . . . . 0.0 110.574 -175.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -71.7 -40.34 69.57 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 124.14 0.976 . . . . 0.0 110.346 177.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.6 t -74.4 -33.28 33.03 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 C-N-CA 125.368 1.467 . . . . 0.0 109.19 -179.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -67.39 -45.85 75.01 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 125.076 1.351 . . . . 0.0 110.109 -179.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -76.94 -18.17 58.44 Favored 'General case' 0 C--N 1.355 0.818 0 C-N-CA 124.271 1.028 . . . . 0.0 111.272 -176.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -75.81 -42.23 50.49 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 123.796 0.838 . . . . 0.0 109.661 178.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 1.569 0 C-N-CA 123.565 0.602 . . . . 0.0 111.697 -177.373 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 65.4 t80 . . . . . 0 N--CA 1.442 -0.831 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.19 -26.73 73.85 Favored Glycine 0 C--N 1.354 1.56 0 C-N-CA 123.977 0.799 . . . . 0.0 111.882 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -80.2 -8.98 59.69 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 124.023 0.929 . . . . 0.0 111.652 -179.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.1 mt -79.74 -42.53 22.6 Favored 'Isoleucine or valine' 0 C--N 1.358 0.953 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 179.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -70.71 -33.28 70.71 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 123.305 0.642 . . . . 0.0 110.846 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 52.1 t -68.25 -33.69 62.01 Favored 'Isoleucine or valine' 0 C--N 1.357 0.891 0 C-N-CA 125.099 1.36 . . . . 0.0 110.83 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -65.55 -38.1 88.6 Favored 'General case' 0 N--CA 1.441 -0.902 0 C-N-CA 125.58 1.552 . . . . 0.0 111.904 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.6 t -71.43 -38.44 68.66 Favored 'Isoleucine or valine' 0 C--N 1.355 0.831 0 C-N-CA 125.202 1.401 . . . . 0.0 109.758 -179.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -68.57 -42.48 78.25 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 123.883 0.873 . . . . 0.0 110.538 -178.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -72.01 -32.17 66.91 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 125.498 1.519 . . . . 0.0 110.729 -175.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -70.47 -35.25 73.19 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 124.69 1.196 . . . . 0.0 110.168 179.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.593 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.932 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.042 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -86.2 104.11 15.45 Favored 'General case' 0 N--CA 1.44 -0.935 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -149.9 85.74 1.42 Allowed 'General case' 0 N--CA 1.434 -1.227 0 N-CA-C 103.643 -2.725 . . . . 0.0 103.643 172.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.7 t70 88.22 -58.37 0.03 OUTLIER 'General case' 0 C--N 1.36 1.03 0 C-N-CA 128.168 2.587 . . . . 0.0 108.666 -178.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -95.8 120.96 62.35 Favored Pre-proline 0 N--CA 1.439 -0.984 0 N-CA-C 104.55 -2.389 . . . . 0.0 104.55 179.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -77.66 84.02 2.06 Favored 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.269 2.646 . . . . 0.0 110.577 177.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -81.66 -23.85 36.64 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 123.822 0.849 . . . . 0.0 108.843 176.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -76.1 -33.09 59.49 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 124.505 1.122 . . . . 0.0 108.466 173.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.17 -23.95 76.57 Favored Glycine 0 C--N 1.356 1.664 0 N-CA-C 111.66 -0.576 . . . . 0.0 111.66 178.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 59.5 m170 -81.44 -23.26 37.63 Favored 'General case' 0 C--N 1.357 0.902 0 C-N-CA 124.931 1.292 . . . . 0.0 109.841 176.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -78.05 -27.98 15.04 Favored 'Isoleucine or valine' 0 C--N 1.354 0.799 0 C-N-CA 124.831 1.253 . . . . 0.0 109.404 179.085 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -78.67 -9.47 59.41 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 123.923 0.889 . . . . 0.0 111.81 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 64.1 t -71.72 -31.1 40.54 Favored 'Isoleucine or valine' 0 C--N 1.357 0.906 0 C-N-CA 124.203 1.001 . . . . 0.0 109.486 175.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.74 -26.83 55.04 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 125.24 1.416 . . . . 0.0 109.469 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.0 t -76.19 -33.22 23.75 Favored 'Isoleucine or valine' 0 C--N 1.357 0.91 0 C-N-CA 124.964 1.306 . . . . 0.0 108.849 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -73.93 -33.9 64.11 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 123.851 0.86 . . . . 0.0 110.266 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -75.91 -27.56 57.7 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 124.654 1.181 . . . . 0.0 110.23 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -73.16 -42.92 62.26 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 124.128 0.971 . . . . 0.0 109.783 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.82 -11.15 85.7 Favored Glycine 0 C--N 1.353 1.525 0 C-N-CA 123.511 0.577 . . . . 0.0 112.313 -177.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -88.56 -66.68 0.89 Allowed 'General case' 0 N--CA 1.439 -0.976 0 C-N-CA 124.252 1.021 . . . . 0.0 108.769 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 61.3 t-80 -92.79 -60.91 1.7 Allowed 'General case' 0 N--CA 1.437 -1.088 0 C-N-CA 123.702 0.801 . . . . 0.0 111.024 -165.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.6 pt -101.58 44.58 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.508 -0.641 0 C-N-CA 124.452 1.101 . . . . 0.0 109.767 -168.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 48.8 p-80 -76.56 130.56 38.06 Favored 'General case' 0 N--CA 1.441 -0.902 0 C-N-CA 123.713 0.805 . . . . 0.0 109.034 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -105.74 119.52 39.36 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 -175.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.368 1.379 0 CA-C-N 116.241 -0.436 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.067 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 73.15 -92.26 0.02 OUTLIER 'General case' 0 C--N 1.356 0.87 0 C-N-CA 126.417 1.887 . . . . 0.0 110.586 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -78.71 -18.92 53.54 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 124.511 1.125 . . . . 0.0 110.338 -178.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -74.44 -31.0 62.12 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 124.229 1.012 . . . . 0.0 109.692 174.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 71.9 mt -87.83 172.77 7.32 Favored Pre-proline 0 N--CA 1.443 -0.821 0 C-N-CA 125.414 1.486 . . . . 0.0 107.38 174.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -71.9 83.24 1.16 Allowed 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 122.601 2.201 . . . . 0.0 112.973 171.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -105.53 -60.94 1.56 Allowed 'General case' 0 CA--C 1.494 -1.189 0 N-CA-C 103.966 -2.605 . . . . 0.0 103.966 167.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -83.08 -25.59 31.89 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 125.948 1.699 . . . . 0.0 108.395 177.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.53 -24.82 69.4 Favored Glycine 0 C--N 1.356 1.668 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 178.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -85.45 -26.02 26.59 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 124.236 1.014 . . . . 0.0 109.589 176.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -74.73 -25.48 18.97 Favored 'Isoleucine or valine' 0 C--N 1.357 0.915 0 C-N-CA 124.499 1.119 . . . . 0.0 109.57 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -74.97 -17.9 60.47 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 125.632 1.573 . . . . 0.0 111.218 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 49.1 t -73.4 -28.6 25.71 Favored 'Isoleucine or valine' 0 C--N 1.357 0.912 0 C-N-CA 124.818 1.247 . . . . 0.0 110.048 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -78.91 -23.64 44.62 Favored 'General case' 0 CA--C 1.509 -0.61 0 C-N-CA 124.017 0.927 . . . . 0.0 109.88 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.0 t -76.21 -34.68 26.44 Favored 'Isoleucine or valine' 0 C--N 1.357 0.921 0 C-N-CA 124.655 1.182 . . . . 0.0 108.581 177.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -70.48 -30.57 67.4 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 124.391 1.077 . . . . 0.0 111.025 178.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -89.75 -12.79 38.32 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 123.22 0.608 . . . . 0.0 110.88 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -80.6 -60.08 2.45 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.31 -3.31 69.67 Favored Glycine 0 C--N 1.352 1.443 0 CA-C-O 118.951 -0.916 . . . . 0.0 112.528 -173.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 63.32 42.8 6.6 Favored 'General case' 0 C--N 1.361 1.098 0 C-N-CA 124.975 1.31 . . . . 0.0 111.178 -175.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -89.48 147.01 24.24 Favored 'General case' 0 N--CA 1.434 -1.247 0 N-CA-C 106.221 -1.77 . . . . 0.0 106.221 173.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.1 mm 57.3 67.91 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.811 0 C-N-CA 126.148 1.779 . . . . 0.0 109.085 -171.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -156.08 159.8 39.41 Favored 'General case' 0 N--CA 1.433 -1.308 0 N-CA-C 106.519 -1.66 . . . . 0.0 106.519 -170.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -84.44 115.54 22.6 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -178.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.367 1.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.009 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 66.41 44.26 2.45 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 125.938 1.695 . . . . 0.0 111.523 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -112.69 12.65 19.74 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 124.279 1.032 . . . . 0.0 108.433 178.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 64.37 45.59 3.75 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 126.119 1.768 . . . . 0.0 109.476 -172.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.85 159.11 31.71 Favored Pre-proline 0 N--CA 1.441 -0.888 0 C-N-CA 125.319 1.447 . . . . 0.0 108.509 -173.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -86.04 14.62 2.41 Favored 'Trans proline' 0 CA--C 1.508 -0.816 0 C-N-CA 123.273 2.649 . . . . 0.0 110.853 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -93.73 6.04 49.66 Favored 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 124.489 1.116 . . . . 0.0 110.03 -177.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -68.97 -41.29 78.13 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 124.322 1.049 . . . . 0.0 108.925 168.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.47 -14.5 78.28 Favored Glycine 0 C--N 1.355 1.598 0 C-N-CA 124.34 0.971 . . . . 0.0 111.82 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -76.52 -28.83 56.52 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 124.0 0.92 . . . . 0.0 109.597 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 72.8 mt -73.93 -34.84 40.68 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 C-N-CA 125.225 1.41 . . . . 0.0 108.412 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -68.94 -40.31 79.06 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 123.55 0.74 . . . . 0.0 111.156 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.9 t -70.41 -29.24 38.1 Favored 'Isoleucine or valine' 0 C--N 1.357 0.896 0 C-N-CA 125.119 1.368 . . . . 0.0 110.778 -178.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -66.97 -36.07 81.38 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 125.213 1.405 . . . . 0.0 111.742 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 73.5 t -74.48 -35.87 40.01 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 C-N-CA 125.245 1.418 . . . . 0.0 109.457 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -74.1 -30.73 62.48 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 123.877 0.871 . . . . 0.0 110.798 -177.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -78.96 -31.23 44.96 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 125.395 1.478 . . . . 0.0 109.232 -177.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.9 t-80 -75.75 -38.0 58.8 Favored 'General case' 0 C--N 1.353 0.741 0 C-N-CA 124.204 1.002 . . . . 0.0 109.591 178.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.99 -13.56 83.24 Favored Glycine 0 C--N 1.355 1.59 0 C-N-CA 124.505 1.05 . . . . 0.0 112.15 -177.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -95.24 -85.93 0.31 Allowed 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 105.206 -2.146 . . . . 0.0 105.206 173.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.491 ' CG ' ' H ' ' A' ' 22' ' ' ILE . 10.1 t-160 58.17 -126.6 1.55 Allowed 'General case' 0 C--N 1.359 1.011 0 C-N-CA 126.804 2.042 . . . . 0.0 111.15 174.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.491 ' H ' ' CG ' ' A' ' 21' ' ' HIS . 74.7 mt -101.34 -75.02 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.495 -1.135 0 N-CA-C 102.916 -2.994 . . . . 0.0 102.916 173.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -93.17 149.06 21.49 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 126.163 1.785 . . . . 0.0 106.42 170.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 13.3 p80 -72.11 126.36 29.58 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 123.745 0.818 . . . . 0.0 110.194 -175.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.368 1.394 0 CA-C-N 115.774 -0.648 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -87.84 -72.08 0.54 Allowed 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 106.942 -1.503 . . . . 0.0 106.942 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 76.83 118.18 0.06 Allowed 'General case' 0 C--N 1.358 0.938 0 C-N-CA 126.861 2.065 . . . . 0.0 109.519 -176.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -94.97 11.96 30.05 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 123.858 0.863 . . . . 0.0 110.685 -168.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -80.44 150.96 71.4 Favored Pre-proline 0 C--N 1.356 0.862 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 177.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.79 87.88 1.43 Allowed 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 123.598 2.865 . . . . 0.0 109.131 171.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -78.31 -27.99 47.35 Favored 'General case' 0 CA--C 1.498 -1.045 0 C-N-CA 124.203 1.001 . . . . 0.0 110.956 -172.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -81.21 -23.24 38.24 Favored 'General case' 0 CA--C 1.506 -0.729 0 C-N-CA 124.942 1.297 . . . . 0.0 109.436 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.87 -19.18 63.82 Favored Glycine 0 C--N 1.355 1.635 0 C-N-CA 124.305 0.955 . . . . 0.0 111.009 177.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -83.08 -26.38 31.13 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 117.785 0.793 . . . . 0.0 109.535 177.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.7 mt -78.92 -31.62 15.08 Favored 'Isoleucine or valine' 0 C--N 1.356 0.887 0 C-N-CA 125.065 1.346 . . . . 0.0 107.928 178.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -68.02 -40.85 82.87 Favored 'General case' 0 C--N 1.353 0.745 0 C-N-CA 124.568 1.147 . . . . 0.0 111.179 -179.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 84.8 t -81.11 -19.31 11.52 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 C-N-CA 124.762 1.225 . . . . 0.0 110.119 -177.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -73.64 -29.79 62.55 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 124.803 1.241 . . . . 0.0 109.757 177.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 75.7 t -75.15 -30.67 23.4 Favored 'Isoleucine or valine' 0 C--N 1.356 0.86 0 C-N-CA 124.462 1.105 . . . . 0.0 109.07 175.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -79.43 -12.92 59.88 Favored 'General case' 0 C--N 1.356 0.874 0 O-C-N 121.637 -0.664 . . . . 0.0 111.529 178.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -93.13 -49.65 5.89 Favored 'General case' 0 CA--C 1.504 -0.82 0 C-N-CA 123.442 0.697 . . . . 0.0 109.645 177.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -69.23 -43.93 73.05 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 124.339 1.056 . . . . 0.0 110.613 -176.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.24 -11.46 62.85 Favored Glycine 0 C--N 1.35 1.328 0 CA-C-O 118.802 -0.999 . . . . 0.0 112.003 -177.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 62.53 51.04 3.36 Favored 'General case' 0 C--N 1.364 1.226 0 C-N-CA 124.591 1.156 . . . . 0.0 111.077 -178.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.492 ' CG ' ' H ' ' A' ' 22' ' ' ILE . 21.9 t-160 57.6 -125.68 1.69 Allowed 'General case' 0 C--N 1.358 0.948 0 C-N-CA 126.532 1.933 . . . . 0.0 111.012 176.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.492 ' H ' ' CG ' ' A' ' 21' ' ' HIS . 48.8 pt -98.67 -35.29 4.91 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.869 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 169.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -163.76 132.13 3.68 Favored 'General case' 0 N--CA 1.433 -1.317 0 N-CA-C 104.903 -2.258 . . . . 0.0 104.903 172.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 73.0 t60 52.63 63.3 2.29 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.829 1.652 . . . . 0.0 113.389 174.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.367 1.341 0 CA-C-N 116.028 -0.533 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.074 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -100.21 139.9 35.22 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 106.269 -1.752 . . . . 0.0 106.269 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 67.75 88.38 0.11 Allowed 'General case' 0 C--N 1.357 0.925 0 C-N-CA 126.039 1.736 . . . . 0.0 110.561 177.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -125.84 42.75 3.23 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 105.601 -2.0 . . . . 0.0 105.601 177.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 50.2 tp -94.88 135.6 23.54 Favored Pre-proline 0 N--CA 1.439 -0.999 0 N-CA-C 107.135 -1.432 . . . . 0.0 107.135 -176.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -70.02 87.56 0.58 Allowed 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 123.546 2.831 . . . . 0.0 109.855 163.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -78.94 -43.46 24.59 Favored 'General case' 0 CA--C 1.498 -1.023 0 C-N-CA 124.434 1.094 . . . . 0.0 109.021 -172.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -88.48 -1.43 58.05 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 125.515 1.526 . . . . 0.0 109.571 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.31 -4.87 80.4 Favored Glycine 0 C--N 1.356 1.668 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 171.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 -90.51 -34.06 15.7 Favored 'General case' 0 C--N 1.358 0.959 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 172.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.8 mp -72.4 -26.14 24.03 Favored 'Isoleucine or valine' 0 C--N 1.359 0.98 0 C-N-CA 125.978 1.711 . . . . 0.0 108.431 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -60.16 -38.71 84.0 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 125.784 1.634 . . . . 0.0 111.596 175.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.2 t -76.02 -27.47 18.16 Favored 'Isoleucine or valine' 0 C--N 1.357 0.921 0 C-N-CA 125.369 1.468 . . . . 0.0 110.847 -175.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -71.46 -38.68 71.27 Favored 'General case' 0 CA--C 1.505 -0.752 0 C-N-CA 124.308 1.043 . . . . 0.0 110.614 -179.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 82.8 t -77.36 -28.91 16.48 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 C-N-CA 125.453 1.501 . . . . 0.0 108.957 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -69.02 -39.28 79.35 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 124.994 1.318 . . . . 0.0 110.712 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -83.79 -19.79 34.41 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 124.487 1.115 . . . . 0.0 110.281 -177.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -75.03 -48.57 23.4 Favored 'General case' 0 C--N 1.354 0.8 0 C-N-CA 123.92 0.888 . . . . 0.0 109.885 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.45 -32.13 31.8 Favored Glycine 0 C--N 1.353 1.515 0 N-CA-C 111.417 -0.673 . . . . 0.0 111.417 -176.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 66.98 35.5 4.67 Favored 'General case' 0 C--N 1.358 0.948 0 C-N-CA 126.3 1.84 . . . . 0.0 111.56 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -90.93 170.87 9.71 Favored 'General case' 0 N--CA 1.435 -1.184 0 C-N-CA 124.966 1.307 . . . . 0.0 109.262 -179.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 58.0 mt -91.85 -53.13 9.17 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.068 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 -176.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -92.47 129.18 38.48 Favored 'General case' 0 N--CA 1.432 -1.356 0 C-N-CA 125.8 1.64 . . . . 0.0 107.327 176.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -79.9 -64.11 1.26 Allowed 'General case' 0 C--N 1.355 0.811 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.367 1.364 0 O-C-N 123.331 0.394 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.009 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -90.22 107.31 19.06 Favored 'General case' 0 CA--C 1.502 -0.901 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 74.74 -86.98 0.02 OUTLIER 'General case' 0 C--N 1.358 0.955 0 C-N-CA 128.168 2.587 . . . . 0.0 109.274 178.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -140.66 71.0 1.36 Allowed 'General case' 0 N--CA 1.439 -1.007 0 N-CA-C 104.783 -2.303 . . . . 0.0 104.783 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.2 tt -98.87 121.09 57.08 Favored Pre-proline 0 N--CA 1.442 -0.871 0 N-CA-C 105.256 -2.128 . . . . 0.0 105.256 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -79.01 84.1 2.12 Favored 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 123.169 2.58 . . . . 0.0 109.933 176.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -81.83 -24.11 36.06 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 124.276 1.03 . . . . 0.0 108.663 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -77.02 -24.02 52.13 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 126.991 2.116 . . . . 0.0 110.303 174.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.39 -28.58 47.79 Favored Glycine 0 C--N 1.347 1.153 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 174.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -83.62 -30.8 26.63 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 124.262 1.025 . . . . 0.0 110.72 -177.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.9 tt -78.15 -17.95 13.77 Favored 'Isoleucine or valine' 0 C--N 1.356 0.873 0 C-N-CA 124.396 1.079 . . . . 0.0 110.246 -175.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -76.17 -38.16 56.97 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 125.421 1.488 . . . . 0.0 109.369 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.3 t -72.64 -30.11 32.62 Favored 'Isoleucine or valine' 0 C--N 1.356 0.868 0 C-N-CA 125.083 1.353 . . . . 0.0 109.838 -178.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.35 -27.58 69.42 Favored 'General case' 0 N--CA 1.439 -1.001 0 C-N-CA 126.098 1.759 . . . . 0.0 113.446 178.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.9 t -70.06 -40.99 79.09 Favored 'Isoleucine or valine' 0 C--N 1.359 0.989 0 C-N-CA 124.698 1.199 . . . . 0.0 109.411 178.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -72.44 -35.11 68.22 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 124.457 1.103 . . . . 0.0 110.097 -177.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -71.94 -29.02 63.85 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 125.342 1.457 . . . . 0.0 110.638 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -74.3 -16.46 60.93 Favored 'General case' 0 C--N 1.356 0.882 0 C-N-CA 124.77 1.228 . . . . 0.0 111.169 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.01 -30.22 59.54 Favored Glycine 0 C--N 1.356 1.687 0 C-N-CA 124.249 0.928 . . . . 0.0 111.044 176.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -82.64 -30.7 29.21 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 123.661 0.785 . . . . 0.0 109.079 175.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 43.9 m170 -76.18 167.17 22.35 Favored 'General case' 0 C--N 1.356 0.884 0 C-N-CA 123.753 0.821 . . . . 0.0 109.87 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 68.5 mt -88.45 -57.71 4.03 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.028 0 N-CA-C 104.34 -2.467 . . . . 0.0 104.34 170.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -142.38 151.72 42.15 Favored 'General case' 0 N--CA 1.429 -1.489 0 N-CA-C 105.065 -2.198 . . . . 0.0 105.065 168.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 13.7 t-160 -85.0 118.54 24.63 Favored 'General case' 0 N--CA 1.442 -0.828 0 N-CA-C 107.805 -1.184 . . . . 0.0 107.805 -178.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.367 1.341 0 CA-C-N 116.277 -0.419 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.008 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -83.14 -66.22 0.92 Allowed 'General case' 0 C--N 1.359 1.004 0 C-N-CA 127.021 2.128 . . . . 0.0 107.778 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -95.65 91.2 6.0 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-O 121.768 0.794 . . . . 0.0 109.16 -173.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -87.08 -54.07 4.52 Favored 'General case' 0 CA--C 1.504 -0.819 0 N-CA-C 105.012 -2.218 . . . . 0.0 105.012 165.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 86.6 mt -88.8 171.0 9.84 Favored Pre-proline 0 N--CA 1.443 -0.806 0 N-CA-C 105.367 -2.086 . . . . 0.0 105.367 167.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -74.47 84.95 1.49 Allowed 'Trans proline' 0 N--CA 1.457 -0.641 0 CA-C-N 123.173 2.169 . . . . 0.0 109.064 168.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -87.78 -26.1 23.04 Favored 'General case' 0 CA--C 1.494 -1.175 0 C-N-CA 124.519 1.128 . . . . 0.0 110.087 -171.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -82.31 -22.33 35.67 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 172.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.26 -13.86 75.71 Favored Glycine 0 C--N 1.356 1.656 0 C-N-CA 124.437 1.017 . . . . 0.0 111.205 176.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -88.54 -27.18 21.58 Favored 'General case' 0 C--N 1.357 0.917 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 174.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -76.2 -24.11 16.15 Favored 'Isoleucine or valine' 0 C--N 1.357 0.901 0 C-N-CA 125.436 1.494 . . . . 0.0 108.9 176.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -72.76 -21.73 60.96 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 125.398 1.479 . . . . 0.0 111.03 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.8 t -72.92 -31.35 35.55 Favored 'Isoleucine or valine' 0 C--N 1.357 0.919 0 C-N-CA 124.669 1.188 . . . . 0.0 110.11 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.03 -31.61 64.55 Favored 'General case' 0 CA--C 1.511 -0.535 0 C-N-CA 124.571 1.148 . . . . 0.0 110.02 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 68.1 t -75.12 -34.52 31.86 Favored 'Isoleucine or valine' 0 C--N 1.356 0.854 0 C-N-CA 124.878 1.271 . . . . 0.0 108.991 178.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -69.85 -33.76 72.7 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 125.061 1.344 . . . . 0.0 110.399 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -81.04 -26.86 36.04 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 124.475 1.11 . . . . 0.0 110.345 -178.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -70.05 -45.72 66.51 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 124.574 1.15 . . . . 0.0 110.575 -176.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.69 -39.26 18.08 Favored Glycine 0 C--N 1.353 1.502 0 N-CA-C 109.75 -1.34 . . . . 0.0 109.75 177.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 68.56 68.35 0.31 Allowed 'General case' 0 C--N 1.357 0.916 0 C-N-CA 126.711 2.004 . . . . 0.0 109.263 178.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -86.77 148.75 25.28 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.13 -171.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.5 mm -102.76 -56.62 5.02 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.123 0 N-CA-C 103.945 -2.613 . . . . 0.0 103.945 172.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -139.86 150.3 44.47 Favored 'General case' 0 N--CA 1.428 -1.538 0 N-CA-C 105.09 -2.189 . . . . 0.0 105.09 172.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -87.51 -63.09 1.36 Allowed 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.368 1.403 0 O-C-N 123.124 0.265 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.073 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -92.1 144.98 24.88 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -93.96 88.91 5.87 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 105.455 -2.054 . . . . 0.0 105.455 177.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -87.18 -55.59 3.75 Favored 'General case' 0 CA--C 1.498 -1.033 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.0 mp -89.64 150.46 44.24 Favored Pre-proline 0 N--CA 1.442 -0.846 0 N-CA-C 105.617 -1.994 . . . . 0.0 105.617 174.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -82.2 6.99 5.36 Favored 'Trans proline' 0 CA--C 1.505 -0.943 0 C-N-CA 123.534 2.822 . . . . 0.0 111.014 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -90.54 -24.77 20.52 Favored 'General case' 0 CA--C 1.499 -0.989 0 C-N-CA 126.69 1.996 . . . . 0.0 108.059 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -85.05 -14.48 47.16 Favored 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 125.344 1.458 . . . . 0.0 107.743 171.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.6 -31.49 45.09 Favored Glycine 0 C--N 1.355 1.594 0 N-CA-C 109.594 -1.402 . . . . 0.0 109.594 171.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 -84.59 -14.23 49.37 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 124.238 1.015 . . . . 0.0 111.218 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.3 tp -78.9 -22.33 12.82 Favored 'Isoleucine or valine' 0 C--N 1.36 1.063 0 C-N-CA 123.106 0.562 . . . . 0.0 109.966 -177.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -77.43 -31.62 54.07 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 125.286 1.434 . . . . 0.0 109.512 177.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 45.7 t -76.11 -23.55 16.04 Favored 'Isoleucine or valine' 0 C--N 1.357 0.906 0 C-N-CA 125.238 1.415 . . . . 0.0 109.091 178.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -75.73 -24.16 56.11 Favored 'General case' 0 N--CA 1.443 -0.82 0 C-N-CA 124.911 1.285 . . . . 0.0 111.584 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.2 t -73.56 -38.76 52.92 Favored 'Isoleucine or valine' 0 C--N 1.358 0.953 0 C-N-CA 124.337 1.055 . . . . 0.0 108.425 175.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -73.54 -23.82 60.04 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 124.706 1.202 . . . . 0.0 110.317 178.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -75.07 -32.21 61.44 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 125.131 1.373 . . . . 0.0 109.413 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 52.5 m170 -80.78 -10.74 59.7 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 124.47 1.108 . . . . 0.0 110.841 177.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.1 -45.18 4.21 Favored Glycine 0 C--N 1.355 1.592 0 N-CA-C 110.253 -1.139 . . . . 0.0 110.253 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -83.05 -35.92 25.35 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 123.683 0.793 . . . . 0.0 110.602 -172.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -118.31 159.75 22.84 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 105.851 -1.907 . . . . 0.0 105.851 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . 0.354 13.1 tt 50.38 39.47 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.36 1.042 0 C-N-CA 128.277 2.631 . . . . 0.0 112.814 -178.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 14.3 t-160 -172.54 -63.16 0.02 OUTLIER 'General case' 0 N--CA 1.436 -1.153 0 N-CA-C 102.906 -2.998 . . . . 0.0 102.906 -176.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 65.9 m-70 66.16 56.46 0.82 Allowed 'General case' 0 C--N 1.356 0.861 0 C-N-CA 125.642 1.577 . . . . 0.0 111.281 177.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.368 1.398 0 CA-C-N 115.8 -0.636 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.009 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -99.26 176.87 5.39 Favored 'General case' 0 CA--C 1.504 -0.822 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 77.0 130.88 0.05 OUTLIER 'General case' 0 C--N 1.358 0.955 0 C-N-CA 127.013 2.125 . . . . 0.0 110.555 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -139.52 85.7 2.07 Favored 'General case' 0 N--CA 1.435 -1.205 0 N-CA-C 102.376 -3.194 . . . . 0.0 102.376 174.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.8 mt -83.59 161.41 56.46 Favored Pre-proline 0 N--CA 1.44 -0.969 0 C-N-CA 124.859 1.264 . . . . 0.0 107.59 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -82.04 10.01 3.71 Favored 'Trans proline' 0 CA--C 1.509 -0.728 0 C-N-CA 123.085 2.524 . . . . 0.0 111.135 176.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -106.8 -31.29 8.46 Favored 'General case' 0 N--CA 1.439 -1.016 0 C-N-CA 126.612 1.965 . . . . 0.0 106.546 175.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -79.3 -11.12 59.94 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 126.149 1.779 . . . . 0.0 109.87 179.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.85 -21.86 73.29 Favored Glycine 0 C--N 1.355 1.599 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 175.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.9 m80 -85.73 -27.75 25.06 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 124.232 1.013 . . . . 0.0 109.329 177.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.2 mt -82.22 -26.93 9.07 Favored 'Isoleucine or valine' 0 C--N 1.355 0.824 0 C-N-CA 125.397 1.479 . . . . 0.0 107.908 -176.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -70.84 -40.15 72.56 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 125.107 1.363 . . . . 0.0 110.503 178.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.2 t -78.76 -19.14 13.15 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 C-N-CA 124.835 1.254 . . . . 0.0 109.901 -177.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.1 -34.37 77.88 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 125.36 1.464 . . . . 0.0 112.119 176.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 43.7 t -73.97 -34.01 38.06 Favored 'Isoleucine or valine' 0 C--N 1.358 0.943 0 C-N-CA 125.264 1.426 . . . . 0.0 109.263 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -69.29 -37.14 77.68 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 124.661 1.184 . . . . 0.0 110.464 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -77.97 -23.06 48.56 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 124.033 0.933 . . . . 0.0 110.76 -178.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -73.28 -45.56 54.9 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 123.86 0.864 . . . . 0.0 109.187 177.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.87 20.73 37.5 Favored Glycine 0 C--N 1.355 1.604 0 C-N-CA 123.754 0.692 . . . . 0.0 112.058 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -82.37 -41.85 19.43 Favored 'General case' 0 C--N 1.356 0.882 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 175.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -75.86 178.12 6.44 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 124.556 1.143 . . . . 0.0 111.915 -173.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 66.7 mt -85.14 -68.91 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.498 -1.052 0 N-CA-C 106.086 -1.82 . . . . 0.0 106.086 179.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -89.31 126.84 35.68 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 125.419 1.487 . . . . 0.0 107.71 175.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 17.7 p-80 -163.75 127.58 2.72 Favored 'General case' 0 N--CA 1.435 -1.183 0 N-CA-C 105.331 -2.1 . . . . 0.0 105.331 179.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.367 1.336 0 CA-C-N 116.286 -0.415 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.07 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 68.8 -113.58 0.12 Allowed 'General case' 0 C--N 1.357 0.904 0 C-N-CA 126.088 1.755 . . . . 0.0 109.904 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 77.95 133.02 0.06 Allowed 'General case' 0 C--N 1.36 1.038 0 C-N-CA 126.986 2.115 . . . . 0.0 111.203 177.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -94.41 -72.23 0.63 Allowed 'General case' 0 CA--C 1.499 -1.018 0 N-CA-C 104.025 -2.583 . . . . 0.0 104.025 171.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.7 mp -95.25 143.6 26.39 Favored Pre-proline 0 N--CA 1.442 -0.859 0 N-CA-C 104.564 -2.384 . . . . 0.0 104.564 165.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -69.41 92.36 0.48 Allowed 'Trans proline' 0 N--CA 1.455 -0.744 0 C-N-CA 123.163 2.576 . . . . 0.0 111.067 167.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -87.15 -27.64 22.94 Favored 'General case' 0 CA--C 1.505 -0.76 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -86.11 -12.92 48.73 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 125.698 1.599 . . . . 0.0 109.723 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.36 -30.95 11.13 Favored Glycine 0 C--N 1.355 1.598 0 N-CA-C 108.909 -1.676 . . . . 0.0 108.909 172.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -90.53 5.53 47.35 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 124.557 1.143 . . . . 0.0 110.659 -177.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.3 tp -70.19 -29.98 41.73 Favored 'Isoleucine or valine' 0 C--N 1.357 0.931 0 C-N-CA 124.598 1.159 . . . . 0.0 111.435 -172.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -75.66 -35.13 60.49 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 125.436 1.495 . . . . 0.0 108.987 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.1 t -73.87 -21.96 18.33 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 C-N-CA 125.432 1.493 . . . . 0.0 111.04 -171.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -69.62 -40.91 76.31 Favored 'General case' 0 CA--C 1.507 -0.69 0 C-N-CA 123.937 0.895 . . . . 0.0 110.452 176.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.6 t -75.38 -36.56 36.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 C-N-CA 125.22 1.408 . . . . 0.0 109.132 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -68.38 -45.6 72.29 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 125.427 1.491 . . . . 0.0 110.568 -176.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -77.95 -18.49 55.97 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 124.644 1.177 . . . . 0.0 110.723 -174.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -75.24 -45.25 41.4 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 123.626 0.77 . . . . 0.0 109.902 176.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.86 -23.54 63.94 Favored Glycine 0 C--N 1.354 1.572 0 C-N-CA 123.823 0.725 . . . . 0.0 111.939 -176.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -80.68 -56.45 4.14 Favored 'General case' 0 CA--C 1.503 -0.828 0 C-N-CA 124.642 1.177 . . . . 0.0 108.094 178.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 71.26 143.71 0.06 Allowed 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 128.129 2.571 . . . . 0.0 112.601 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.2 mt -95.81 -55.56 5.99 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.069 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 -175.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.591 ' CG ' ' H ' ' A' ' 24' ' ' HIS . 9.2 t-160 72.72 -154.78 0.08 Allowed 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 127.165 2.186 . . . . 0.0 109.951 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.591 ' H ' ' CG ' ' A' ' 23' ' ' HIS . 61.8 t-80 -90.82 119.37 30.98 Favored 'General case' 0 N--CA 1.438 -1.042 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.368 1.384 0 CA-C-N 116.331 -0.395 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.041 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -90.54 -69.6 0.72 Allowed 'General case' 0 C--N 1.359 0.979 0 C-N-CA 127.066 2.146 . . . . 0.0 106.692 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -90.72 -9.58 46.2 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 124.077 0.951 . . . . 0.0 109.453 174.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -110.93 65.21 0.61 Allowed 'General case' 0 N--CA 1.438 -1.025 0 N-CA-C 105.804 -1.924 . . . . 0.0 105.804 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.1 mp -71.42 143.45 87.87 Favored Pre-proline 0 C--N 1.354 0.78 0 C-N-CA 124.024 0.929 . . . . 0.0 109.93 -176.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -68.77 95.54 0.48 Allowed 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 123.371 2.714 . . . . 0.0 110.402 164.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -93.55 -55.27 3.34 Favored 'General case' 0 CA--C 1.497 -1.082 0 N-CA-C 106.113 -1.81 . . . . 0.0 106.113 177.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -87.43 -5.82 58.68 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 125.89 1.676 . . . . 0.0 110.085 -179.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.54 -41.18 5.49 Favored Glycine 0 C--N 1.354 1.567 0 N-CA-C 109.372 -1.491 . . . . 0.0 109.372 177.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -84.34 -16.27 43.53 Favored 'General case' 0 C--N 1.355 0.847 0 C-N-CA 123.49 0.716 . . . . 0.0 111.56 -173.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.0 tt -73.19 -23.15 19.78 Favored 'Isoleucine or valine' 0 C--N 1.357 0.901 0 O-C-N 121.525 -0.734 . . . . 0.0 110.316 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -75.18 -30.73 60.75 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 125.417 1.487 . . . . 0.0 110.21 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.5 t -73.43 -31.72 34.32 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 C-N-CA 125.101 1.36 . . . . 0.0 109.364 179.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.42 ' HZ1' ' HB3' ' A' ' 14' ' ' LYS . 9.7 mtpm? -78.24 -0.44 28.62 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 125.364 1.466 . . . . 0.0 112.43 -178.563 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.7 t -83.39 -43.79 18.32 Favored 'Isoleucine or valine' 0 C--N 1.354 0.783 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 172.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -77.36 -30.71 53.96 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 124.503 1.121 . . . . 0.0 110.426 -177.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -78.55 -42.33 29.62 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 124.541 1.137 . . . . 0.0 110.155 -174.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -86.18 -12.57 49.43 Favored 'General case' 0 C--N 1.356 0.884 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -176.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.43 -25.54 39.09 Favored Glycine 0 C--N 1.354 1.561 0 N-CA-C 110.136 -1.186 . . . . 0.0 110.136 175.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -83.55 -74.98 0.35 Allowed 'General case' 0 C--N 1.357 0.918 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -93.66 145.55 24.48 Favored 'General case' 0 N--CA 1.433 -1.295 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 178.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.3 mp -117.86 -77.85 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.497 -1.089 0 N-CA-C 104.361 -2.459 . . . . 0.0 104.361 -178.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.4 t-160 -149.25 -59.47 0.21 Allowed 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 105.625 -1.991 . . . . 0.0 105.625 -178.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 62.1 m80 64.59 -122.45 0.45 Allowed 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.224 1.41 . . . . 0.0 109.91 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.365 1.265 0 O-C-N 123.183 0.302 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.028 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 30.7 t80 74.11 120.65 0.04 OUTLIER 'General case' 0 C--N 1.356 0.87 0 C-N-CA 127.367 2.267 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -105.56 -118.81 0.23 Allowed 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 104.455 -2.424 . . . . 0.0 104.455 171.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -98.52 -31.51 11.93 Favored 'General case' 0 CA--C 1.503 -0.843 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 172.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 78.8 mt -90.08 145.02 32.15 Favored Pre-proline 0 N--CA 1.441 -0.919 0 C-N-CA 124.554 1.141 . . . . 0.0 108.276 -176.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -83.09 19.46 1.32 Allowed 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 123.996 3.131 . . . . 0.0 110.857 175.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -80.16 -43.95 20.72 Favored 'General case' 0 CA--C 1.5 -0.952 0 C-N-CA 125.567 1.547 . . . . 0.0 107.653 178.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -87.68 -10.71 50.49 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 125.118 1.367 . . . . 0.0 108.653 175.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.85 -2.17 90.64 Favored Glycine 0 C--N 1.357 1.741 0 C-N-CA 124.625 1.107 . . . . 0.0 111.447 174.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -86.65 -39.36 16.17 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 170.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.8 mp -68.91 -26.96 33.8 Favored 'Isoleucine or valine' 0 C--N 1.357 0.929 0 C-N-CA 126.181 1.792 . . . . 0.0 108.869 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -58.25 -41.22 83.74 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 125.873 1.669 . . . . 0.0 111.3 174.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.3 t -70.51 -29.53 38.96 Favored 'Isoleucine or valine' 0 C--N 1.357 0.928 0 C-N-CA 125.448 1.499 . . . . 0.0 111.519 -175.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.73 -38.63 70.44 Favored 'General case' 0 CA--C 1.51 -0.579 0 C-N-CA 123.913 0.885 . . . . 0.0 109.799 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.8 t -74.87 -30.91 24.78 Favored 'Isoleucine or valine' 0 C--N 1.355 0.812 0 C-N-CA 125.096 1.358 . . . . 0.0 109.607 -179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -68.38 -41.75 80.12 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 125.897 1.679 . . . . 0.0 110.079 -178.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -77.69 -31.68 52.58 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 125.044 1.337 . . . . 0.0 110.42 -177.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -72.09 -35.45 69.22 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 124.902 1.281 . . . . 0.0 110.444 -178.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.86 -18.56 79.51 Favored Glycine 0 C--N 1.356 1.646 0 C-N-CA 124.042 0.829 . . . . 0.0 111.726 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 76.37 78.03 0.09 Allowed 'General case' 0 C--N 1.359 0.991 0 C-N-CA 126.675 1.99 . . . . 0.0 108.614 176.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 51.6 p-80 -79.09 160.47 27.05 Favored 'General case' 0 N--CA 1.437 -1.116 0 C-N-CA 124.368 1.067 . . . . 0.0 110.803 -178.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 69.4 mt -102.37 -67.17 1.06 Allowed 'Isoleucine or valine' 0 CA--C 1.498 -1.051 0 N-CA-C 104.506 -2.405 . . . . 0.0 104.506 175.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 74.24 130.93 0.04 OUTLIER 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 128.157 2.583 . . . . 0.0 111.307 177.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 62.9 t-80 -89.49 115.87 27.24 Favored 'General case' 0 N--CA 1.441 -0.913 0 N-CA-C 107.151 -1.426 . . . . 0.0 107.151 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.367 1.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.053 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -91.74 151.48 20.61 Favored 'General case' 0 CA--C 1.501 -0.906 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -105.31 -112.59 0.26 Allowed 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 106.201 -1.778 . . . . 0.0 106.201 -178.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -98.11 26.13 5.55 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 125.41 1.484 . . . . 0.0 108.26 174.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 76.4 mt -84.27 157.29 62.41 Favored Pre-proline 0 N--CA 1.439 -1.004 0 C-N-CA 125.01 1.324 . . . . 0.0 109.042 -173.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -74.06 93.25 0.88 Allowed 'Trans proline' 0 N--CA 1.452 -0.926 0 C-N-CA 123.22 2.613 . . . . 0.0 109.11 167.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -70.32 -31.73 69.17 Favored 'General case' 0 CA--C 1.504 -0.816 0 C-N-CA 125.266 1.426 . . . . 0.0 111.846 -178.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -82.5 -7.19 59.65 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 125.88 1.672 . . . . 0.0 110.7 177.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.67 -34.97 7.52 Favored Glycine 0 C--N 1.353 1.489 0 N-CA-C 108.39 -1.884 . . . . 0.0 108.39 172.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -87.79 -1.33 57.9 Favored 'General case' 0 C--N 1.356 0.848 0 C-N-CA 124.627 1.171 . . . . 0.0 111.215 -177.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.7 tp -79.87 -23.19 11.89 Favored 'Isoleucine or valine' 0 C--N 1.358 0.966 0 C-N-CA 123.688 0.795 . . . . 0.0 108.894 178.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -78.56 -35.42 46.03 Favored 'General case' 0 N--CA 1.439 -0.985 0 C-N-CA 125.482 1.513 . . . . 0.0 108.867 178.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.0 t -71.06 -30.79 42.62 Favored 'Isoleucine or valine' 0 C--N 1.357 0.898 0 C-N-CA 125.728 1.611 . . . . 0.0 110.007 -178.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -65.67 -36.61 84.15 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 126.13 1.772 . . . . 0.0 111.812 178.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 89.3 t -75.08 -32.31 26.48 Favored 'Isoleucine or valine' 0 C--N 1.357 0.925 0 C-N-CA 125.23 1.412 . . . . 0.0 109.507 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -73.88 -30.61 62.73 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 123.599 0.76 . . . . 0.0 110.608 -179.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -80.27 -25.04 39.66 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 124.612 1.165 . . . . 0.0 110.092 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -78.98 -36.06 41.96 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 124.374 1.07 . . . . 0.0 109.489 179.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.27 -19.31 72.22 Favored Glycine 0 C--N 1.356 1.654 0 C-N-CA 124.308 0.956 . . . . 0.0 111.262 -179.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -78.58 -54.15 6.44 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 174.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.557 ' CG ' ' H ' ' A' ' 22' ' ' ILE . 6.0 t-80 66.39 -147.73 0.19 Allowed 'General case' 0 C--N 1.358 0.936 0 C-N-CA 126.242 1.817 . . . . 0.0 110.557 176.163 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.557 ' H ' ' CG ' ' A' ' 21' ' ' HIS . 4.8 mp -101.94 -71.44 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.496 -1.099 0 N-CA-C 103.013 -2.958 . . . . 0.0 103.013 174.172 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -155.09 -94.0 0.04 OUTLIER 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 103.944 -2.613 . . . . 0.0 103.944 174.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -80.78 -58.87 2.9 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 123.591 0.756 . . . . 0.0 109.086 178.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.367 1.341 0 O-C-N 123.309 0.381 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.057 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -96.13 171.34 8.67 Favored 'General case' 0 CA--C 1.502 -0.895 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -86.45 -65.28 1.03 Allowed 'General case' 0 N--CA 1.441 -0.878 0 N-CA-C 106.996 -1.483 . . . . 0.0 106.996 176.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.8 t70 64.41 52.94 1.75 Allowed 'General case' 0 C--N 1.358 0.961 0 C-N-CA 126.187 1.795 . . . . 0.0 109.99 179.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.6 tt -154.12 122.91 3.08 Favored Pre-proline 0 N--CA 1.438 -1.039 0 N-CA-C 103.044 -2.947 . . . . 0.0 103.044 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -75.8 88.71 1.28 Allowed 'Trans proline' 0 N--CA 1.454 -0.801 0 C-N-CA 123.18 2.587 . . . . 0.0 109.663 171.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -90.01 -59.18 2.26 Favored 'General case' 0 CA--C 1.496 -1.116 0 N-CA-C 106.263 -1.755 . . . . 0.0 106.263 178.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -82.62 -22.26 34.79 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 125.994 1.718 . . . . 0.0 108.668 176.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.78 -27.91 68.12 Favored Glycine 0 C--N 1.356 1.657 0 C-N-CA 124.033 0.825 . . . . 0.0 111.063 178.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -80.07 -39.74 29.1 Favored 'General case' 0 CA--C 1.503 -0.833 0 C-N-CA 123.726 0.81 . . . . 0.0 109.18 174.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.18 -27.84 36.55 Favored 'Isoleucine or valine' 0 C--N 1.357 0.928 0 C-N-CA 124.88 1.272 . . . . 0.0 111.755 -171.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -73.45 -42.34 62.09 Favored 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 124.685 1.194 . . . . 0.0 110.065 -177.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 63.8 t -77.12 -25.04 15.24 Favored 'Isoleucine or valine' 0 C--N 1.355 0.817 0 C-N-CA 125.484 1.513 . . . . 0.0 110.201 -177.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -73.05 -34.06 66.07 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 126.028 1.731 . . . . 0.0 110.041 -176.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.9 t -74.46 -34.56 36.28 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 C-N-CA 124.614 1.166 . . . . 0.0 109.396 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.9 m-30 -72.4 -33.24 67.02 Favored 'General case' 0 C--N 1.356 0.875 0 C-N-CA 123.722 0.809 . . . . 0.0 110.875 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.5 t-20 -81.31 -24.45 37.17 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 124.996 1.319 . . . . 0.0 109.623 -177.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -80.06 -26.73 39.56 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 124.087 0.955 . . . . 0.0 109.968 177.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.94 -19.92 60.38 Favored Glycine 0 C--N 1.356 1.645 0 N-CA-C 110.494 -1.042 . . . . 0.0 110.494 177.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -82.08 -71.42 0.48 Allowed 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 178.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -89.92 115.59 27.34 Favored 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 106.951 -1.5 . . . . 0.0 106.951 177.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 19.3 mt -114.77 62.18 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 N-CA-C 103.266 -2.865 . . . . 0.0 103.266 -177.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 68.05 -115.3 0.17 Allowed 'General case' 0 C--N 1.354 0.799 0 C-N-CA 126.575 1.95 . . . . 0.0 109.54 -178.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -85.31 121.25 27.78 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 179.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.366 1.316 0 CA-C-N 116.325 -0.398 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.007 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . 0.367 32.8 p90 58.65 175.16 0.07 Allowed 'General case' 0 C--N 1.358 0.962 0 C-N-CA 128.213 2.605 . . . . 0.0 114.86 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -123.83 -91.44 0.55 Allowed 'General case' 0 CA--C 1.501 -0.927 0 N-CA-C 105.64 -1.985 . . . . 0.0 105.64 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . 0.341 1.5 p30 46.74 64.61 1.47 Allowed 'General case' 0 C--N 1.36 1.03 0 C-N-CA 127.43 2.292 . . . . 0.0 113.969 -177.073 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.8 mp -89.05 164.84 29.43 Favored Pre-proline 0 N--CA 1.444 -0.761 0 N-CA-C 105.607 -1.997 . . . . 0.0 105.607 176.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -80.72 17.75 1.36 Allowed 'Trans proline' 0 CA--C 1.513 -0.539 0 C-N-CA 123.52 2.813 . . . . 0.0 111.258 174.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -102.8 -35.32 8.68 Favored 'General case' 0 CA--C 1.497 -1.083 0 C-N-CA 126.209 1.803 . . . . 0.0 106.641 175.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -88.46 -9.77 51.38 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 125.911 1.684 . . . . 0.0 109.62 177.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.94 -35.5 7.14 Favored Glycine 0 C--N 1.355 1.59 0 N-CA-C 108.613 -1.795 . . . . 0.0 108.613 173.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -91.11 9.83 29.36 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 124.734 1.214 . . . . 0.0 110.357 -177.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.1 tp -67.59 -33.19 60.55 Favored 'Isoleucine or valine' 0 C--N 1.357 0.908 0 C-N-CA 124.514 1.126 . . . . 0.0 111.857 -173.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -80.15 -27.04 39.11 Favored 'General case' 0 C--N 1.355 0.847 0 C-N-CA 124.489 1.116 . . . . 0.0 110.057 -177.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.8 t -72.99 -28.66 27.01 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 C-N-CA 124.709 1.204 . . . . 0.0 110.126 -176.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -70.09 -41.1 74.51 Favored 'General case' 0 CA--C 1.508 -0.649 0 C-N-CA 125.322 1.449 . . . . 0.0 110.238 178.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 89.9 t -71.15 -35.33 58.05 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 C-N-CA 125.052 1.341 . . . . 0.0 109.565 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -72.35 -26.91 62.1 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 125.42 1.488 . . . . 0.0 110.595 -178.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -81.75 -42.11 20.26 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 124.639 1.175 . . . . 0.0 109.497 -178.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 59.2 m170 -72.68 -38.19 67.67 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 124.821 1.248 . . . . 0.0 110.759 -174.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.12 -28.46 56.15 Favored Glycine 0 C--N 1.353 1.52 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 177.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 71.26 73.59 0.18 Allowed 'General case' 0 C--N 1.357 0.899 0 C-N-CA 126.67 1.988 . . . . 0.0 109.692 177.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . 0.273 4.1 p-80 61.72 170.84 0.12 Allowed 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 128.304 2.642 . . . . 0.0 115.364 176.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.4 pt -110.41 -21.81 5.39 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.769 0 C-N-CA 124.37 1.068 . . . . 0.0 109.005 176.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -152.51 141.33 21.05 Favored 'General case' 0 N--CA 1.431 -1.377 0 N-CA-C 104.981 -2.229 . . . . 0.0 104.981 178.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -83.67 117.99 23.56 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 -176.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.367 1.367 0 CA-C-N 116.123 -0.49 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -80.33 -46.53 15.95 Favored 'General case' 0 C--N 1.353 0.727 0 C-N-CA 124.231 1.012 . . . . 0.0 108.398 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -89.21 -56.7 3.16 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 174.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.9 t0 67.09 63.4 0.46 Allowed 'General case' 0 C--N 1.359 1.013 0 C-N-CA 126.127 1.771 . . . . 0.0 109.195 179.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.47 HD21 ' H ' ' A' ' 5' ' ' LEU . 2.0 pt? -92.99 151.82 40.91 Favored Pre-proline 0 N--CA 1.44 -0.944 0 C-N-CA 124.469 1.108 . . . . 0.0 108.189 -179.025 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -82.28 72.38 6.13 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 123.182 2.588 . . . . 0.0 109.918 171.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -84.53 -61.52 1.78 Allowed 'General case' 0 CA--C 1.497 -1.065 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 171.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -82.66 -16.23 49.01 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 125.556 1.542 . . . . 0.0 108.76 176.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.23 -12.18 83.49 Favored Glycine 0 C--N 1.357 1.706 0 C-N-CA 124.08 0.848 . . . . 0.0 111.638 177.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -88.83 -31.75 18.16 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 124.355 1.062 . . . . 0.0 108.738 173.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.6 mp -73.91 -26.18 21.07 Favored 'Isoleucine or valine' 0 C--N 1.357 0.902 0 C-N-CA 125.331 1.452 . . . . 0.0 108.646 178.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -66.68 -30.36 70.59 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 125.324 1.45 . . . . 0.0 111.346 178.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.0 t -71.97 -31.77 41.7 Favored 'Isoleucine or valine' 0 C--N 1.358 0.937 0 C-N-CA 124.83 1.252 . . . . 0.0 110.372 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -73.95 -34.0 64.12 Favored 'General case' 0 CA--C 1.508 -0.665 0 C-N-CA 125.154 1.382 . . . . 0.0 111.205 -176.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.4 t -73.63 -36.77 48.05 Favored 'Isoleucine or valine' 0 C--N 1.357 0.908 0 C-N-CA 125.007 1.323 . . . . 0.0 108.714 179.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -68.88 -38.43 79.66 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 124.512 1.125 . . . . 0.0 110.031 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -73.7 -21.79 60.13 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 124.911 1.284 . . . . 0.0 111.067 -175.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -70.4 -46.93 63.01 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 123.732 0.813 . . . . 0.0 110.512 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.22 -16.07 51.57 Favored Glycine 0 C--N 1.353 1.487 0 CA-C-O 119.754 -0.47 . . . . 0.0 112.756 -176.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -153.1 73.94 1.01 Allowed 'General case' 0 CA--C 1.495 -1.168 0 N-CA-C 103.817 -2.66 . . . . 0.0 103.817 -169.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 71.3 m80 -61.51 122.08 14.33 Favored 'General case' 0 CA--C 1.507 -0.703 0 C-N-CA 125.127 1.371 . . . . 0.0 111.725 178.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 42.7 mm -108.88 -79.48 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.499 -0.988 0 N-CA-C 104.333 -2.469 . . . . 0.0 104.333 177.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 -154.99 -81.47 0.08 Allowed 'General case' 0 N--CA 1.431 -1.397 0 N-CA-C 104.42 -2.437 . . . . 0.0 104.42 178.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -83.43 129.52 34.99 Favored 'General case' 0 N--CA 1.439 -1.002 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 178.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.367 1.338 0 O-C-N 123.417 0.448 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.011 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -87.02 -43.17 12.53 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 126.861 2.065 . . . . 0.0 109.009 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -128.94 102.42 6.51 Favored 'General case' 0 N--CA 1.437 -1.119 0 N-CA-C 103.458 -2.793 . . . . 0.0 103.458 179.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -89.39 -35.21 16.18 Favored 'General case' 0 CA--C 1.496 -1.109 0 C-N-CA 124.018 0.927 . . . . 0.0 111.57 -165.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 73.1 mt -75.52 157.26 84.59 Favored Pre-proline 0 N--CA 1.446 -0.655 0 C-N-CA 124.742 1.217 . . . . 0.0 109.43 -172.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -77.89 85.38 1.82 Allowed 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 122.923 2.416 . . . . 0.0 110.313 176.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -93.04 -32.52 14.45 Favored 'General case' 0 CA--C 1.502 -0.886 0 N-CA-C 105.823 -1.917 . . . . 0.0 105.823 170.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -71.7 -34.28 69.5 Favored 'General case' 0 N--CA 1.443 -0.825 0 C-N-CA 126.628 1.971 . . . . 0.0 109.668 173.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.91 -7.98 80.06 Favored Glycine 0 C--N 1.353 1.522 0 C-N-CA 124.471 1.034 . . . . 0.0 111.593 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -87.54 -39.59 15.0 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 174.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.4 mt -74.29 -24.59 19.06 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 C-N-CA 125.433 1.493 . . . . 0.0 108.654 -177.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -62.16 -33.0 73.67 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 125.572 1.549 . . . . 0.0 111.754 175.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.4 t -74.7 -29.9 23.93 Favored 'Isoleucine or valine' 0 C--N 1.358 0.956 0 C-N-CA 124.917 1.287 . . . . 0.0 110.666 -178.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.08 -32.97 61.61 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 124.304 1.042 . . . . 0.0 110.124 -179.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 69.8 t -74.16 -35.44 40.85 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 C-N-CA 124.685 1.194 . . . . 0.0 108.823 178.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -71.2 -33.65 70.13 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 124.647 1.179 . . . . 0.0 110.32 179.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -74.38 -31.19 62.28 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 124.84 1.256 . . . . 0.0 109.942 -177.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -75.68 -39.89 56.76 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 124.653 1.181 . . . . 0.0 109.802 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.92 -23.82 68.35 Favored Glycine 0 C--N 1.355 1.636 0 C-N-CA 124.2 0.905 . . . . 0.0 112.009 -176.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -80.56 -51.76 8.39 Favored 'General case' 0 N--CA 1.441 -0.882 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 177.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . 0.252 61.6 t60 68.1 -120.66 0.19 Allowed 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 126.234 1.814 . . . . 0.0 110.537 179.417 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 31.4 mt 72.21 93.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.925 0 C-N-CA 126.82 2.048 . . . . 0.0 108.724 -176.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -79.01 -79.01 0.14 Allowed 'General case' 0 N--CA 1.438 -1.027 0 C-N-CA 124.464 1.106 . . . . 0.0 108.274 177.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 62.31 64.03 0.99 Allowed 'General case' 0 C--N 1.356 0.889 0 C-N-CA 125.486 1.514 . . . . 0.0 110.532 -178.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.369 1.424 0 CA-C-N 115.599 -0.728 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.0 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -93.58 177.84 5.89 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 126.631 1.973 . . . . 0.0 107.939 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -100.85 66.69 1.19 Allowed 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 105.616 -1.994 . . . . 0.0 105.616 173.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -89.61 -20.44 23.71 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 125.736 1.614 . . . . 0.0 108.992 -179.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.501 HD11 ' H ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -77.63 160.15 75.35 Favored Pre-proline 0 N--CA 1.439 -0.999 0 C-N-CA 126.348 1.859 . . . . 0.0 107.564 174.741 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -85.22 59.01 5.17 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 122.534 2.156 . . . . 0.0 111.624 -171.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -98.46 -10.01 24.25 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 106.392 -1.707 . . . . 0.0 106.392 162.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -84.25 -24.87 29.78 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 125.905 1.682 . . . . 0.0 108.111 171.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.17 -33.58 17.16 Favored Glycine 0 C--N 1.354 1.582 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 175.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -91.79 17.83 8.51 Favored 'General case' 0 C--N 1.353 0.761 0 C-N-CA 125.041 1.337 . . . . 0.0 110.214 -178.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.6 tp -72.0 -27.56 27.62 Favored 'Isoleucine or valine' 0 C--N 1.359 0.986 0 C-N-CA 124.509 1.124 . . . . 0.0 111.674 -172.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -71.07 -36.2 72.19 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 124.68 1.192 . . . . 0.0 110.096 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 89.3 t -75.97 -31.8 22.51 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 C-N-CA 125.357 1.463 . . . . 0.0 110.255 -177.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -69.65 -31.1 69.0 Favored 'General case' 0 CA--C 1.51 -0.577 0 C-N-CA 125.082 1.353 . . . . 0.0 111.25 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.9 t -74.08 -36.43 44.31 Favored 'Isoleucine or valine' 0 C--N 1.355 0.838 0 C-N-CA 124.477 1.111 . . . . 0.0 109.166 177.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -65.88 -52.81 46.95 Favored 'General case' 0 C--N 1.357 0.934 0 C-N-CA 123.575 0.75 . . . . 0.0 111.39 -178.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.3 p30 -79.55 -5.68 55.42 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 113.313 0.856 . . . . 0.0 113.313 -173.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -75.42 -53.33 8.88 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 123.494 0.718 . . . . 0.0 109.382 175.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.78 -39.83 6.09 Favored Glycine 0 C--N 1.352 1.456 0 N-CA-C 111.988 -0.445 . . . . 0.0 111.988 -172.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -96.87 -42.03 8.15 Favored 'General case' 0 CA--C 1.5 -0.968 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -168.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 73.92 142.95 0.07 Allowed 'General case' 0 N--CA 1.441 -0.905 0 C-N-CA 127.227 2.211 . . . . 0.0 112.914 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.6 mm 60.92 66.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.011 0 C-N-CA 126.935 2.094 . . . . 0.0 108.642 -171.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.532 ' CG ' ' H ' ' A' ' 24' ' ' HIS . 67.8 t60 60.64 -134.94 0.69 Allowed 'General case' 0 C--N 1.359 1.01 0 C-N-CA 125.855 1.662 . . . . 0.0 109.727 -173.365 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.532 ' H ' ' CG ' ' A' ' 23' ' ' HIS . 55.3 t-80 -92.84 112.92 25.04 Favored 'General case' 0 N--CA 1.437 -1.083 0 N-CA-C 105.337 -2.097 . . . . 0.0 105.337 174.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.366 1.311 0 CA-C-N 116.407 -0.36 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.016 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -83.03 132.71 35.12 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 126.644 1.978 . . . . 0.0 108.009 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -154.31 -82.11 0.08 Allowed 'General case' 0 N--CA 1.434 -1.252 0 N-CA-C 103.044 -2.947 . . . . 0.0 103.044 174.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -100.11 -36.09 9.45 Favored 'General case' 0 CA--C 1.503 -0.841 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 174.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.3 mp -80.22 134.71 55.18 Favored Pre-proline 0 N--CA 1.44 -0.934 0 C-N-CA 125.233 1.413 . . . . 0.0 108.751 -174.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -69.41 96.65 0.57 Allowed 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 123.447 2.764 . . . . 0.0 110.815 165.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -108.0 -60.7 1.68 Allowed 'General case' 0 CA--C 1.496 -1.115 0 N-CA-C 105.474 -2.047 . . . . 0.0 105.474 175.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -93.83 4.34 54.07 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 125.203 1.401 . . . . 0.0 109.169 175.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.97 -33.89 7.98 Favored Glycine 0 C--N 1.352 1.435 0 N-CA-C 108.009 -2.037 . . . . 0.0 108.009 168.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -90.48 -3.9 57.33 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 124.327 1.051 . . . . 0.0 111.004 -177.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.5 tp -78.15 -21.97 13.53 Favored 'Isoleucine or valine' 0 C--N 1.359 1.0 0 C-N-CA 123.561 0.745 . . . . 0.0 109.574 179.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -72.96 -33.83 66.11 Favored 'General case' 0 C--N 1.359 0.983 0 C-N-CA 126.127 1.771 . . . . 0.0 108.973 177.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.2 t -72.48 -22.45 20.52 Favored 'Isoleucine or valine' 0 C--N 1.356 0.86 0 C-N-CA 125.651 1.58 . . . . 0.0 110.574 -175.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -71.7 -40.34 69.57 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 124.14 0.976 . . . . 0.0 110.346 177.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.6 t -74.4 -33.28 33.03 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 C-N-CA 125.368 1.467 . . . . 0.0 109.19 -179.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -67.39 -45.85 75.01 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 125.076 1.351 . . . . 0.0 110.109 -179.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -76.94 -18.17 58.44 Favored 'General case' 0 C--N 1.355 0.818 0 C-N-CA 124.271 1.028 . . . . 0.0 111.272 -176.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -75.81 -42.23 50.49 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 123.796 0.838 . . . . 0.0 109.661 178.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.63 -20.02 60.75 Favored Glycine 0 C--N 1.354 1.569 0 C-N-CA 123.565 0.602 . . . . 0.0 111.697 -177.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -84.58 -69.53 0.64 Allowed 'General case' 0 CA--C 1.503 -0.851 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 -179.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -85.96 112.88 21.61 Favored 'General case' 0 N--CA 1.435 -1.22 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.1 mm -90.31 -61.84 1.81 Allowed 'Isoleucine or valine' 0 CA--C 1.497 -1.096 0 N-CA-C 106.062 -1.829 . . . . 0.0 106.062 -178.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -92.89 -176.55 4.24 Favored 'General case' 0 N--CA 1.432 -1.36 0 C-N-CA 126.2 1.8 . . . . 0.0 108.719 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -82.52 119.73 24.6 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.367 1.353 0 CA-C-N 116.302 -0.408 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -84.41 -72.72 0.46 Allowed 'General case' 0 C--N 1.355 0.811 0 N-CA-C 106.633 -1.618 . . . . 0.0 106.633 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -98.24 90.0 4.68 Favored 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 105.095 -2.187 . . . . 0.0 105.095 174.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -137.23 71.56 1.41 Allowed 'General case' 0 N--CA 1.438 -1.068 0 N-CA-C 104.441 -2.429 . . . . 0.0 104.441 -178.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.0 mt -125.5 159.17 61.74 Favored Pre-proline 0 N--CA 1.442 -0.857 0 N-CA-C 105.596 -2.002 . . . . 0.0 105.596 177.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -75.87 88.98 1.26 Allowed 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 123.231 2.621 . . . . 0.0 108.916 167.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -80.01 -27.0 39.63 Favored 'General case' 0 CA--C 1.5 -0.974 0 C-N-CA 124.144 0.977 . . . . 0.0 110.549 -173.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -78.27 -31.21 48.91 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 124.851 1.26 . . . . 0.0 108.372 174.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.19 -26.73 73.85 Favored Glycine 0 C--N 1.354 1.56 0 C-N-CA 123.977 0.799 . . . . 0.0 111.882 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -80.2 -8.98 59.69 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 124.023 0.929 . . . . 0.0 111.652 -179.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.1 mt -79.74 -42.53 22.6 Favored 'Isoleucine or valine' 0 C--N 1.358 0.953 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 179.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -70.71 -33.28 70.71 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 123.305 0.642 . . . . 0.0 110.846 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 52.1 t -68.25 -33.69 62.01 Favored 'Isoleucine or valine' 0 C--N 1.357 0.891 0 C-N-CA 125.099 1.36 . . . . 0.0 110.83 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -65.55 -38.1 88.6 Favored 'General case' 0 N--CA 1.441 -0.902 0 C-N-CA 125.58 1.552 . . . . 0.0 111.904 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.6 t -71.43 -38.44 68.66 Favored 'Isoleucine or valine' 0 C--N 1.355 0.831 0 C-N-CA 125.202 1.401 . . . . 0.0 109.758 -179.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -68.57 -42.48 78.25 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 123.883 0.873 . . . . 0.0 110.538 -178.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -72.01 -32.17 66.91 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 125.498 1.519 . . . . 0.0 110.729 -175.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -70.47 -35.25 73.19 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 124.69 1.196 . . . . 0.0 110.168 179.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.51 -51.59 8.18 Favored Glycine 0 C--N 1.355 1.593 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -149.17 -82.65 0.11 Allowed 'General case' 0 N--CA 1.439 -1.004 0 N-CA-C 106.274 -1.75 . . . . 0.0 106.274 -178.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.492 ' CD2' ' H ' ' A' ' 22' ' ' ILE . 54.8 t60 -155.15 -176.1 5.77 Favored 'General case' 0 N--CA 1.433 -1.3 0 N-CA-C 105.889 -1.893 . . . . 0.0 105.889 -176.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.492 ' H ' ' CD2' ' A' ' 21' ' ' HIS . 2.0 mp -98.39 52.16 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.769 0 N-CA-C 105.997 -1.853 . . . . 0.0 105.997 -177.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 22.9 p80 -77.88 -34.25 51.65 Favored 'General case' 0 N--CA 1.439 -1.001 0 C-N-CA 125.407 1.483 . . . . 0.0 108.78 173.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -79.24 -58.78 3.05 Favored 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 124.311 1.044 . . . . 0.0 108.692 176.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.368 1.406 0 O-C-N 123.159 0.287 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 59.9 t80 . . . . . 0 N--CA 1.443 -0.823 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.17 -23.95 76.57 Favored Glycine 0 C--N 1.356 1.664 0 N-CA-C 111.66 -0.576 . . . . 0.0 111.66 178.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 59.5 m170 -81.44 -23.26 37.63 Favored 'General case' 0 C--N 1.357 0.902 0 C-N-CA 124.931 1.292 . . . . 0.0 109.841 176.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -78.05 -27.98 15.04 Favored 'Isoleucine or valine' 0 C--N 1.354 0.799 0 C-N-CA 124.831 1.253 . . . . 0.0 109.404 179.085 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -78.67 -9.47 59.41 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 123.923 0.889 . . . . 0.0 111.81 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 64.1 t -71.72 -31.1 40.54 Favored 'Isoleucine or valine' 0 C--N 1.357 0.906 0 C-N-CA 124.203 1.001 . . . . 0.0 109.486 175.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.74 -26.83 55.04 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 125.24 1.416 . . . . 0.0 109.469 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.0 t -76.19 -33.22 23.75 Favored 'Isoleucine or valine' 0 C--N 1.357 0.91 0 C-N-CA 124.964 1.306 . . . . 0.0 108.849 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -73.93 -33.9 64.11 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 123.851 0.86 . . . . 0.0 110.266 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -75.91 -27.56 57.7 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 124.654 1.181 . . . . 0.0 110.23 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -73.16 -42.92 62.26 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 124.128 0.971 . . . . 0.0 109.783 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.525 0 C-N-CA 123.511 0.577 . . . . 0.0 112.313 -177.404 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 52.9 t80 . . . . . 0 N--CA 1.44 -0.941 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.53 -24.82 69.4 Favored Glycine 0 C--N 1.356 1.668 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 178.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -85.45 -26.02 26.59 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 124.236 1.014 . . . . 0.0 109.589 176.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -74.73 -25.48 18.97 Favored 'Isoleucine or valine' 0 C--N 1.357 0.915 0 C-N-CA 124.499 1.119 . . . . 0.0 109.57 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -74.97 -17.9 60.47 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 125.632 1.573 . . . . 0.0 111.218 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 49.1 t -73.4 -28.6 25.71 Favored 'Isoleucine or valine' 0 C--N 1.357 0.912 0 C-N-CA 124.818 1.247 . . . . 0.0 110.048 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -78.91 -23.64 44.62 Favored 'General case' 0 CA--C 1.509 -0.61 0 C-N-CA 124.017 0.927 . . . . 0.0 109.88 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.0 t -76.21 -34.68 26.44 Favored 'Isoleucine or valine' 0 C--N 1.357 0.921 0 C-N-CA 124.655 1.182 . . . . 0.0 108.581 177.269 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -70.48 -30.57 67.4 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 124.391 1.077 . . . . 0.0 111.025 178.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -89.75 -12.79 38.32 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 123.22 0.608 . . . . 0.0 110.88 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -80.6 -60.08 2.45 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.443 0 CA-C-O 118.951 -0.916 . . . . 0.0 112.528 -173.926 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 . . . . . 0 CA--C 1.507 -0.708 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.47 -14.5 78.28 Favored Glycine 0 C--N 1.355 1.598 0 C-N-CA 124.34 0.971 . . . . 0.0 111.82 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -76.52 -28.83 56.52 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 124.0 0.92 . . . . 0.0 109.597 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 72.8 mt -73.93 -34.84 40.68 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 C-N-CA 125.225 1.41 . . . . 0.0 108.412 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -68.94 -40.31 79.06 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 123.55 0.74 . . . . 0.0 111.156 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.9 t -70.41 -29.24 38.1 Favored 'Isoleucine or valine' 0 C--N 1.357 0.896 0 C-N-CA 125.119 1.368 . . . . 0.0 110.778 -178.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -66.97 -36.07 81.38 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 125.213 1.405 . . . . 0.0 111.742 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 73.5 t -74.48 -35.87 40.01 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 C-N-CA 125.245 1.418 . . . . 0.0 109.457 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -74.1 -30.73 62.48 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 123.877 0.871 . . . . 0.0 110.798 -177.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -78.96 -31.23 44.96 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 125.395 1.478 . . . . 0.0 109.232 -177.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.9 t-80 -75.75 -38.0 58.8 Favored 'General case' 0 C--N 1.353 0.741 0 C-N-CA 124.204 1.002 . . . . 0.0 109.591 178.226 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.59 0 C-N-CA 124.505 1.05 . . . . 0.0 112.15 -177.195 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 . . . . . 0 CA--C 1.506 -0.729 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.87 -19.18 63.82 Favored Glycine 0 C--N 1.355 1.635 0 C-N-CA 124.305 0.955 . . . . 0.0 111.009 177.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -83.08 -26.38 31.13 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 117.785 0.793 . . . . 0.0 109.535 177.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.7 mt -78.92 -31.62 15.08 Favored 'Isoleucine or valine' 0 C--N 1.356 0.887 0 C-N-CA 125.065 1.346 . . . . 0.0 107.928 178.049 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -68.02 -40.85 82.87 Favored 'General case' 0 C--N 1.353 0.745 0 C-N-CA 124.568 1.147 . . . . 0.0 111.179 -179.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 84.8 t -81.11 -19.31 11.52 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 C-N-CA 124.762 1.225 . . . . 0.0 110.119 -177.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -73.64 -29.79 62.55 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 124.803 1.241 . . . . 0.0 109.757 177.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 75.7 t -75.15 -30.67 23.4 Favored 'Isoleucine or valine' 0 C--N 1.356 0.86 0 C-N-CA 124.462 1.105 . . . . 0.0 109.07 175.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -79.43 -12.92 59.88 Favored 'General case' 0 C--N 1.356 0.874 0 O-C-N 121.637 -0.664 . . . . 0.0 111.529 178.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -93.13 -49.65 5.89 Favored 'General case' 0 CA--C 1.504 -0.82 0 C-N-CA 123.442 0.697 . . . . 0.0 109.645 177.202 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -69.23 -43.93 73.05 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 124.339 1.056 . . . . 0.0 110.613 -176.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 1.328 0 CA-C-O 118.802 -0.999 . . . . 0.0 112.003 -177.286 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 . . . . . 0 N--CA 1.444 -0.739 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.31 -4.87 80.4 Favored Glycine 0 C--N 1.356 1.668 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 171.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 -90.51 -34.06 15.7 Favored 'General case' 0 C--N 1.358 0.959 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 172.154 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.8 mp -72.4 -26.14 24.03 Favored 'Isoleucine or valine' 0 C--N 1.359 0.98 0 C-N-CA 125.978 1.711 . . . . 0.0 108.431 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -60.16 -38.71 84.0 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 125.784 1.634 . . . . 0.0 111.596 175.026 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.2 t -76.02 -27.47 18.16 Favored 'Isoleucine or valine' 0 C--N 1.357 0.921 0 C-N-CA 125.369 1.468 . . . . 0.0 110.847 -175.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -71.46 -38.68 71.27 Favored 'General case' 0 CA--C 1.505 -0.752 0 C-N-CA 124.308 1.043 . . . . 0.0 110.614 -179.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 82.8 t -77.36 -28.91 16.48 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 C-N-CA 125.453 1.501 . . . . 0.0 108.957 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -69.02 -39.28 79.35 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 124.994 1.318 . . . . 0.0 110.712 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -83.79 -19.79 34.41 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 124.487 1.115 . . . . 0.0 110.281 -177.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -75.03 -48.57 23.4 Favored 'General case' 0 C--N 1.354 0.8 0 C-N-CA 123.92 0.888 . . . . 0.0 109.885 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.515 0 N-CA-C 111.417 -0.673 . . . . 0.0 111.417 -176.342 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 12.9 p90 . . . . . 0 N--CA 1.444 -0.743 0 CA-C-O 121.412 0.625 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.39 -28.58 47.79 Favored Glycine 0 C--N 1.347 1.153 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 174.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -83.62 -30.8 26.63 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 124.262 1.025 . . . . 0.0 110.72 -177.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.9 tt -78.15 -17.95 13.77 Favored 'Isoleucine or valine' 0 C--N 1.356 0.873 0 C-N-CA 124.396 1.079 . . . . 0.0 110.246 -175.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -76.17 -38.16 56.97 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 125.421 1.488 . . . . 0.0 109.369 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.3 t -72.64 -30.11 32.62 Favored 'Isoleucine or valine' 0 C--N 1.356 0.868 0 C-N-CA 125.083 1.353 . . . . 0.0 109.838 -178.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.35 -27.58 69.42 Favored 'General case' 0 N--CA 1.439 -1.001 0 C-N-CA 126.098 1.759 . . . . 0.0 113.446 178.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.9 t -70.06 -40.99 79.09 Favored 'Isoleucine or valine' 0 C--N 1.359 0.989 0 C-N-CA 124.698 1.199 . . . . 0.0 109.411 178.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -72.44 -35.11 68.22 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 124.457 1.103 . . . . 0.0 110.097 -177.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -71.94 -29.02 63.85 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 125.342 1.457 . . . . 0.0 110.638 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -74.3 -16.46 60.93 Favored 'General case' 0 C--N 1.356 0.882 0 C-N-CA 124.77 1.228 . . . . 0.0 111.169 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 1.687 0 C-N-CA 124.249 0.928 . . . . 0.0 111.044 176.632 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 30.3 t80 . . . . . 0 N--CA 1.442 -0.872 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.26 -13.86 75.71 Favored Glycine 0 C--N 1.356 1.656 0 C-N-CA 124.437 1.017 . . . . 0.0 111.205 176.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -88.54 -27.18 21.58 Favored 'General case' 0 C--N 1.357 0.917 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 174.005 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -76.2 -24.11 16.15 Favored 'Isoleucine or valine' 0 C--N 1.357 0.901 0 C-N-CA 125.436 1.494 . . . . 0.0 108.9 176.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -72.76 -21.73 60.96 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 125.398 1.479 . . . . 0.0 111.03 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.8 t -72.92 -31.35 35.55 Favored 'Isoleucine or valine' 0 C--N 1.357 0.919 0 C-N-CA 124.669 1.188 . . . . 0.0 110.11 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.03 -31.61 64.55 Favored 'General case' 0 CA--C 1.511 -0.535 0 C-N-CA 124.571 1.148 . . . . 0.0 110.02 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 68.1 t -75.12 -34.52 31.86 Favored 'Isoleucine or valine' 0 C--N 1.356 0.854 0 C-N-CA 124.878 1.271 . . . . 0.0 108.991 178.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -69.85 -33.76 72.7 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 125.061 1.344 . . . . 0.0 110.399 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -81.04 -26.86 36.04 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 124.475 1.11 . . . . 0.0 110.345 -178.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -70.05 -45.72 66.51 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 124.574 1.15 . . . . 0.0 110.575 -176.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.502 0 N-CA-C 109.75 -1.34 . . . . 0.0 109.75 177.565 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.9 t80 . . . . . 0 N--CA 1.442 -0.827 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.6 -31.49 45.09 Favored Glycine 0 C--N 1.355 1.594 0 N-CA-C 109.594 -1.402 . . . . 0.0 109.594 171.263 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 -84.59 -14.23 49.37 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 124.238 1.015 . . . . 0.0 111.218 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.3 tp -78.9 -22.33 12.82 Favored 'Isoleucine or valine' 0 C--N 1.36 1.063 0 C-N-CA 123.106 0.562 . . . . 0.0 109.966 -177.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -77.43 -31.62 54.07 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 125.286 1.434 . . . . 0.0 109.512 177.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 45.7 t -76.11 -23.55 16.04 Favored 'Isoleucine or valine' 0 C--N 1.357 0.906 0 C-N-CA 125.238 1.415 . . . . 0.0 109.091 178.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -75.73 -24.16 56.11 Favored 'General case' 0 N--CA 1.443 -0.82 0 C-N-CA 124.911 1.285 . . . . 0.0 111.584 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.2 t -73.56 -38.76 52.92 Favored 'Isoleucine or valine' 0 C--N 1.358 0.953 0 C-N-CA 124.337 1.055 . . . . 0.0 108.425 175.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -73.54 -23.82 60.04 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 124.706 1.202 . . . . 0.0 110.317 178.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -75.07 -32.21 61.44 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 125.131 1.373 . . . . 0.0 109.413 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 52.5 m170 -80.78 -10.74 59.7 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 124.47 1.108 . . . . 0.0 110.841 177.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.592 0 N-CA-C 110.253 -1.139 . . . . 0.0 110.253 179.566 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 33.1 t80 . . . . . 0 N--CA 1.443 -0.787 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.85 -21.86 73.29 Favored Glycine 0 C--N 1.355 1.599 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 175.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.9 m80 -85.73 -27.75 25.06 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 124.232 1.013 . . . . 0.0 109.329 177.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.2 mt -82.22 -26.93 9.07 Favored 'Isoleucine or valine' 0 C--N 1.355 0.824 0 C-N-CA 125.397 1.479 . . . . 0.0 107.908 -176.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -70.84 -40.15 72.56 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 125.107 1.363 . . . . 0.0 110.503 178.19 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.2 t -78.76 -19.14 13.15 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 C-N-CA 124.835 1.254 . . . . 0.0 109.901 -177.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.1 -34.37 77.88 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 125.36 1.464 . . . . 0.0 112.119 176.683 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 43.7 t -73.97 -34.01 38.06 Favored 'Isoleucine or valine' 0 C--N 1.358 0.943 0 C-N-CA 125.264 1.426 . . . . 0.0 109.263 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -69.29 -37.14 77.68 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 124.661 1.184 . . . . 0.0 110.464 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -77.97 -23.06 48.56 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 124.033 0.933 . . . . 0.0 110.76 -178.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -73.28 -45.56 54.9 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 123.86 0.864 . . . . 0.0 109.187 177.417 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.604 0 C-N-CA 123.754 0.692 . . . . 0.0 112.058 -179.457 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 . . . . . 0 N--CA 1.444 -0.745 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.36 -30.95 11.13 Favored Glycine 0 C--N 1.355 1.598 0 N-CA-C 108.909 -1.676 . . . . 0.0 108.909 172.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -90.53 5.53 47.35 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 124.557 1.143 . . . . 0.0 110.659 -177.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.3 tp -70.19 -29.98 41.73 Favored 'Isoleucine or valine' 0 C--N 1.357 0.931 0 C-N-CA 124.598 1.159 . . . . 0.0 111.435 -172.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -75.66 -35.13 60.49 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 125.436 1.495 . . . . 0.0 108.987 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.1 t -73.87 -21.96 18.33 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 C-N-CA 125.432 1.493 . . . . 0.0 111.04 -171.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -69.62 -40.91 76.31 Favored 'General case' 0 CA--C 1.507 -0.69 0 C-N-CA 123.937 0.895 . . . . 0.0 110.452 176.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.6 t -75.38 -36.56 36.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 C-N-CA 125.22 1.408 . . . . 0.0 109.132 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -68.38 -45.6 72.29 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 125.427 1.491 . . . . 0.0 110.568 -176.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -77.95 -18.49 55.97 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 124.644 1.177 . . . . 0.0 110.723 -174.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -75.24 -45.25 41.4 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 123.626 0.77 . . . . 0.0 109.902 176.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 1.572 0 C-N-CA 123.823 0.725 . . . . 0.0 111.939 -176.562 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 . . . . . 0 N--CA 1.442 -0.852 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.54 -41.18 5.49 Favored Glycine 0 C--N 1.354 1.567 0 N-CA-C 109.372 -1.491 . . . . 0.0 109.372 177.095 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -84.34 -16.27 43.53 Favored 'General case' 0 C--N 1.355 0.847 0 C-N-CA 123.49 0.716 . . . . 0.0 111.56 -173.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.0 tt -73.19 -23.15 19.78 Favored 'Isoleucine or valine' 0 C--N 1.357 0.901 0 O-C-N 121.525 -0.734 . . . . 0.0 110.316 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -75.18 -30.73 60.75 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 125.417 1.487 . . . . 0.0 110.21 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.5 t -73.43 -31.72 34.32 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 C-N-CA 125.101 1.36 . . . . 0.0 109.364 179.487 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -78.24 -0.44 28.62 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 125.364 1.466 . . . . 0.0 112.43 -178.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.7 t -83.39 -43.79 18.32 Favored 'Isoleucine or valine' 0 C--N 1.354 0.783 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 172.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -77.36 -30.71 53.96 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 124.503 1.121 . . . . 0.0 110.426 -177.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -78.55 -42.33 29.62 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 124.541 1.137 . . . . 0.0 110.155 -174.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -86.18 -12.57 49.43 Favored 'General case' 0 C--N 1.356 0.884 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -176.143 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 1.561 0 N-CA-C 110.136 -1.186 . . . . 0.0 110.136 175.166 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.4 t80 . . . . . 0 N--CA 1.442 -0.835 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.85 -2.17 90.64 Favored Glycine 0 C--N 1.357 1.741 0 C-N-CA 124.625 1.107 . . . . 0.0 111.447 174.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -86.65 -39.36 16.17 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 170.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.8 mp -68.91 -26.96 33.8 Favored 'Isoleucine or valine' 0 C--N 1.357 0.929 0 C-N-CA 126.181 1.792 . . . . 0.0 108.869 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -58.25 -41.22 83.74 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 125.873 1.669 . . . . 0.0 111.3 174.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.3 t -70.51 -29.53 38.96 Favored 'Isoleucine or valine' 0 C--N 1.357 0.928 0 C-N-CA 125.448 1.499 . . . . 0.0 111.519 -175.27 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.73 -38.63 70.44 Favored 'General case' 0 CA--C 1.51 -0.579 0 C-N-CA 123.913 0.885 . . . . 0.0 109.799 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.8 t -74.87 -30.91 24.78 Favored 'Isoleucine or valine' 0 C--N 1.355 0.812 0 C-N-CA 125.096 1.358 . . . . 0.0 109.607 -179.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -68.38 -41.75 80.12 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 125.897 1.679 . . . . 0.0 110.079 -178.282 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -77.69 -31.68 52.58 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 125.044 1.337 . . . . 0.0 110.42 -177.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -72.09 -35.45 69.22 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 124.902 1.281 . . . . 0.0 110.444 -178.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 1.646 0 C-N-CA 124.042 0.829 . . . . 0.0 111.726 179.546 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 . . . . . 0 N--CA 1.447 -0.603 0 CA-C-O 120.43 0.157 . . . . 0.0 110.7 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.67 -34.97 7.52 Favored Glycine 0 C--N 1.353 1.489 0 N-CA-C 108.39 -1.884 . . . . 0.0 108.39 172.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -87.79 -1.33 57.9 Favored 'General case' 0 C--N 1.356 0.848 0 C-N-CA 124.627 1.171 . . . . 0.0 111.215 -177.35 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.7 tp -79.87 -23.19 11.89 Favored 'Isoleucine or valine' 0 C--N 1.358 0.966 0 C-N-CA 123.688 0.795 . . . . 0.0 108.894 178.538 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -78.56 -35.42 46.03 Favored 'General case' 0 N--CA 1.439 -0.985 0 C-N-CA 125.482 1.513 . . . . 0.0 108.867 178.418 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.0 t -71.06 -30.79 42.62 Favored 'Isoleucine or valine' 0 C--N 1.357 0.898 0 C-N-CA 125.728 1.611 . . . . 0.0 110.007 -178.249 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -65.67 -36.61 84.15 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 126.13 1.772 . . . . 0.0 111.812 178.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 89.3 t -75.08 -32.31 26.48 Favored 'Isoleucine or valine' 0 C--N 1.357 0.925 0 C-N-CA 125.23 1.412 . . . . 0.0 109.507 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -73.88 -30.61 62.73 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 123.599 0.76 . . . . 0.0 110.608 -179.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -80.27 -25.04 39.66 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 124.612 1.165 . . . . 0.0 110.092 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -78.98 -36.06 41.96 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 124.374 1.07 . . . . 0.0 109.489 179.376 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 1.654 0 C-N-CA 124.308 0.956 . . . . 0.0 111.262 -179.599 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 56.7 t80 . . . . . 0 N--CA 1.442 -0.853 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.78 -27.91 68.12 Favored Glycine 0 C--N 1.356 1.657 0 C-N-CA 124.033 0.825 . . . . 0.0 111.063 178.453 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -80.07 -39.74 29.1 Favored 'General case' 0 CA--C 1.503 -0.833 0 C-N-CA 123.726 0.81 . . . . 0.0 109.18 174.457 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.18 -27.84 36.55 Favored 'Isoleucine or valine' 0 C--N 1.357 0.928 0 C-N-CA 124.88 1.272 . . . . 0.0 111.755 -171.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -73.45 -42.34 62.09 Favored 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 124.685 1.194 . . . . 0.0 110.065 -177.609 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 63.8 t -77.12 -25.04 15.24 Favored 'Isoleucine or valine' 0 C--N 1.355 0.817 0 C-N-CA 125.484 1.513 . . . . 0.0 110.201 -177.251 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -73.05 -34.06 66.07 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 126.028 1.731 . . . . 0.0 110.041 -176.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.9 t -74.46 -34.56 36.28 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 C-N-CA 124.614 1.166 . . . . 0.0 109.396 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.9 m-30 -72.4 -33.24 67.02 Favored 'General case' 0 C--N 1.356 0.875 0 C-N-CA 123.722 0.809 . . . . 0.0 110.875 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.5 t-20 -81.31 -24.45 37.17 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 124.996 1.319 . . . . 0.0 109.623 -177.307 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -80.06 -26.73 39.56 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 124.087 0.955 . . . . 0.0 109.968 177.302 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 1.645 0 N-CA-C 110.494 -1.042 . . . . 0.0 110.494 177.813 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 . . . . . 0 N--CA 1.443 -0.792 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.94 -35.5 7.14 Favored Glycine 0 C--N 1.355 1.59 0 N-CA-C 108.613 -1.795 . . . . 0.0 108.613 173.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -91.11 9.83 29.36 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 124.734 1.214 . . . . 0.0 110.357 -177.615 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.1 tp -67.59 -33.19 60.55 Favored 'Isoleucine or valine' 0 C--N 1.357 0.908 0 C-N-CA 124.514 1.126 . . . . 0.0 111.857 -173.144 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -80.15 -27.04 39.11 Favored 'General case' 0 C--N 1.355 0.847 0 C-N-CA 124.489 1.116 . . . . 0.0 110.057 -177.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.8 t -72.99 -28.66 27.01 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 C-N-CA 124.709 1.204 . . . . 0.0 110.126 -176.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -70.09 -41.1 74.51 Favored 'General case' 0 CA--C 1.508 -0.649 0 C-N-CA 125.322 1.449 . . . . 0.0 110.238 178.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 89.9 t -71.15 -35.33 58.05 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 C-N-CA 125.052 1.341 . . . . 0.0 109.565 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -72.35 -26.91 62.1 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 125.42 1.488 . . . . 0.0 110.595 -178.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -81.75 -42.11 20.26 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 124.639 1.175 . . . . 0.0 109.497 -178.19 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 59.2 m170 -72.68 -38.19 67.67 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 124.821 1.248 . . . . 0.0 110.759 -174.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.52 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 177.398 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 43.3 t80 . . . . . 0 N--CA 1.442 -0.864 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.23 -12.18 83.49 Favored Glycine 0 C--N 1.357 1.706 0 C-N-CA 124.08 0.848 . . . . 0.0 111.638 177.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -88.83 -31.75 18.16 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 124.355 1.062 . . . . 0.0 108.738 173.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.6 mp -73.91 -26.18 21.07 Favored 'Isoleucine or valine' 0 C--N 1.357 0.902 0 C-N-CA 125.331 1.452 . . . . 0.0 108.646 178.384 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -66.68 -30.36 70.59 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 125.324 1.45 . . . . 0.0 111.346 178.33 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.0 t -71.97 -31.77 41.7 Favored 'Isoleucine or valine' 0 C--N 1.358 0.937 0 C-N-CA 124.83 1.252 . . . . 0.0 110.372 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -73.95 -34.0 64.12 Favored 'General case' 0 CA--C 1.508 -0.665 0 C-N-CA 125.154 1.382 . . . . 0.0 111.205 -176.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.4 t -73.63 -36.77 48.05 Favored 'Isoleucine or valine' 0 C--N 1.357 0.908 0 C-N-CA 125.007 1.323 . . . . 0.0 108.714 179.032 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -68.88 -38.43 79.66 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 124.512 1.125 . . . . 0.0 110.031 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -73.7 -21.79 60.13 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 124.911 1.284 . . . . 0.0 111.067 -175.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -70.4 -46.93 63.01 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 123.732 0.813 . . . . 0.0 110.512 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.487 0 CA-C-O 119.754 -0.47 . . . . 0.0 112.756 -176.156 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 12.7 p90 . . . . . 0 N--CA 1.443 -0.825 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.91 -7.98 80.06 Favored Glycine 0 C--N 1.353 1.522 0 C-N-CA 124.471 1.034 . . . . 0.0 111.593 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -87.54 -39.59 15.0 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 174.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.4 mt -74.29 -24.59 19.06 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 C-N-CA 125.433 1.493 . . . . 0.0 108.654 -177.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -62.16 -33.0 73.67 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 125.572 1.549 . . . . 0.0 111.754 175.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.4 t -74.7 -29.9 23.93 Favored 'Isoleucine or valine' 0 C--N 1.358 0.956 0 C-N-CA 124.917 1.287 . . . . 0.0 110.666 -178.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.08 -32.97 61.61 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 124.304 1.042 . . . . 0.0 110.124 -179.491 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 69.8 t -74.16 -35.44 40.85 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 C-N-CA 124.685 1.194 . . . . 0.0 108.823 178.27 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -71.2 -33.65 70.13 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 124.647 1.179 . . . . 0.0 110.32 179.109 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -74.38 -31.19 62.28 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 124.84 1.256 . . . . 0.0 109.942 -177.014 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -75.68 -39.89 56.76 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 124.653 1.181 . . . . 0.0 109.802 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.636 0 C-N-CA 124.2 0.905 . . . . 0.0 112.009 -176.975 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 35.0 t80 . . . . . 0 N--CA 1.44 -0.94 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.17 -33.58 17.16 Favored Glycine 0 C--N 1.354 1.582 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 175.386 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -91.79 17.83 8.51 Favored 'General case' 0 C--N 1.353 0.761 0 C-N-CA 125.041 1.337 . . . . 0.0 110.214 -178.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.6 tp -72.0 -27.56 27.62 Favored 'Isoleucine or valine' 0 C--N 1.359 0.986 0 C-N-CA 124.509 1.124 . . . . 0.0 111.674 -172.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -71.07 -36.2 72.19 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 124.68 1.192 . . . . 0.0 110.096 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 89.3 t -75.97 -31.8 22.51 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 C-N-CA 125.357 1.463 . . . . 0.0 110.255 -177.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -69.65 -31.1 69.0 Favored 'General case' 0 CA--C 1.51 -0.577 0 C-N-CA 125.082 1.353 . . . . 0.0 111.25 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.9 t -74.08 -36.43 44.31 Favored 'Isoleucine or valine' 0 C--N 1.355 0.838 0 C-N-CA 124.477 1.111 . . . . 0.0 109.166 177.346 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -65.88 -52.81 46.95 Favored 'General case' 0 C--N 1.357 0.934 0 C-N-CA 123.575 0.75 . . . . 0.0 111.39 -178.441 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.3 p30 -79.55 -5.68 55.42 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 113.313 0.856 . . . . 0.0 113.313 -173.35 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -75.42 -53.33 8.88 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 123.494 0.718 . . . . 0.0 109.382 175.167 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.456 0 N-CA-C 111.988 -0.445 . . . . 0.0 111.988 -172.203 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 . . . . . 0 N--CA 1.446 -0.67 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.97 -33.89 7.98 Favored Glycine 0 C--N 1.352 1.435 0 N-CA-C 108.009 -2.037 . . . . 0.0 108.009 168.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -90.48 -3.9 57.33 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 124.327 1.051 . . . . 0.0 111.004 -177.416 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.5 tp -78.15 -21.97 13.53 Favored 'Isoleucine or valine' 0 C--N 1.359 1.0 0 C-N-CA 123.561 0.745 . . . . 0.0 109.574 179.012 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -72.96 -33.83 66.11 Favored 'General case' 0 C--N 1.359 0.983 0 C-N-CA 126.127 1.771 . . . . 0.0 108.973 177.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.2 t -72.48 -22.45 20.52 Favored 'Isoleucine or valine' 0 C--N 1.356 0.86 0 C-N-CA 125.651 1.58 . . . . 0.0 110.574 -175.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -71.7 -40.34 69.57 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 124.14 0.976 . . . . 0.0 110.346 177.11 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.6 t -74.4 -33.28 33.03 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 C-N-CA 125.368 1.467 . . . . 0.0 109.19 -179.166 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -67.39 -45.85 75.01 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 125.076 1.351 . . . . 0.0 110.109 -179.524 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -76.94 -18.17 58.44 Favored 'General case' 0 C--N 1.355 0.818 0 C-N-CA 124.271 1.028 . . . . 0.0 111.272 -176.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -75.81 -42.23 50.49 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 123.796 0.838 . . . . 0.0 109.661 178.112 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 1.569 0 C-N-CA 123.565 0.602 . . . . 0.0 111.697 -177.373 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 65.4 t80 . . . . . 0 N--CA 1.442 -0.831 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.19 -26.73 73.85 Favored Glycine 0 C--N 1.354 1.56 0 C-N-CA 123.977 0.799 . . . . 0.0 111.882 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -80.2 -8.98 59.69 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 124.023 0.929 . . . . 0.0 111.652 -179.517 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.1 mt -79.74 -42.53 22.6 Favored 'Isoleucine or valine' 0 C--N 1.358 0.953 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 179.034 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -70.71 -33.28 70.71 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 123.305 0.642 . . . . 0.0 110.846 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 52.1 t -68.25 -33.69 62.01 Favored 'Isoleucine or valine' 0 C--N 1.357 0.891 0 C-N-CA 125.099 1.36 . . . . 0.0 110.83 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -65.55 -38.1 88.6 Favored 'General case' 0 N--CA 1.441 -0.902 0 C-N-CA 125.58 1.552 . . . . 0.0 111.904 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.6 t -71.43 -38.44 68.66 Favored 'Isoleucine or valine' 0 C--N 1.355 0.831 0 C-N-CA 125.202 1.401 . . . . 0.0 109.758 -179.149 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -68.57 -42.48 78.25 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 123.883 0.873 . . . . 0.0 110.538 -178.105 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -72.01 -32.17 66.91 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 125.498 1.519 . . . . 0.0 110.729 -175.716 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -70.47 -35.25 73.19 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 124.69 1.196 . . . . 0.0 110.168 179.142 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.593 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.932 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.042 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -86.2 104.11 15.45 Favored 'General case' 0 N--CA 1.44 -0.935 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -149.9 85.74 1.42 Allowed 'General case' 0 N--CA 1.434 -1.227 0 N-CA-C 103.643 -2.725 . . . . 0.0 103.643 172.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.7 t70 88.22 -58.37 0.03 OUTLIER 'General case' 0 C--N 1.36 1.03 0 C-N-CA 128.168 2.587 . . . . 0.0 108.666 -178.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -95.8 120.96 62.35 Favored Pre-proline 0 N--CA 1.439 -0.984 0 N-CA-C 104.55 -2.389 . . . . 0.0 104.55 179.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -77.66 84.02 2.06 Favored 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.269 2.646 . . . . 0.0 110.577 177.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -81.66 -23.85 36.64 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 123.822 0.849 . . . . 0.0 108.843 176.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -76.1 -33.09 59.49 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 124.505 1.122 . . . . 0.0 108.466 173.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.17 -23.95 76.57 Favored Glycine 0 C--N 1.356 1.664 0 N-CA-C 111.66 -0.576 . . . . 0.0 111.66 178.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 59.5 m170 -81.44 -23.26 37.63 Favored 'General case' 0 C--N 1.357 0.902 0 C-N-CA 124.931 1.292 . . . . 0.0 109.841 176.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -78.05 -27.98 15.04 Favored 'Isoleucine or valine' 0 C--N 1.354 0.799 0 C-N-CA 124.831 1.253 . . . . 0.0 109.404 179.085 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -78.67 -9.47 59.41 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 123.923 0.889 . . . . 0.0 111.81 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 64.1 t -71.72 -31.1 40.54 Favored 'Isoleucine or valine' 0 C--N 1.357 0.906 0 C-N-CA 124.203 1.001 . . . . 0.0 109.486 175.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.74 -26.83 55.04 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 125.24 1.416 . . . . 0.0 109.469 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.0 t -76.19 -33.22 23.75 Favored 'Isoleucine or valine' 0 C--N 1.357 0.91 0 C-N-CA 124.964 1.306 . . . . 0.0 108.849 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -73.93 -33.9 64.11 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 123.851 0.86 . . . . 0.0 110.266 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -75.91 -27.56 57.7 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 124.654 1.181 . . . . 0.0 110.23 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -73.16 -42.92 62.26 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 124.128 0.971 . . . . 0.0 109.783 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.82 -11.15 85.7 Favored Glycine 0 C--N 1.353 1.525 0 C-N-CA 123.511 0.577 . . . . 0.0 112.313 -177.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -88.56 -66.68 0.89 Allowed 'General case' 0 N--CA 1.439 -0.976 0 C-N-CA 124.252 1.021 . . . . 0.0 108.769 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 61.3 t-80 -92.79 -60.91 1.7 Allowed 'General case' 0 N--CA 1.437 -1.088 0 C-N-CA 123.702 0.801 . . . . 0.0 111.024 -165.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.6 pt -101.58 44.58 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.508 -0.641 0 C-N-CA 124.452 1.101 . . . . 0.0 109.767 -168.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 48.8 p-80 -76.56 130.56 38.06 Favored 'General case' 0 N--CA 1.441 -0.902 0 C-N-CA 123.713 0.805 . . . . 0.0 109.034 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -105.74 119.52 39.36 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 -175.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.368 1.379 0 CA-C-N 116.241 -0.436 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.067 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 73.15 -92.26 0.02 OUTLIER 'General case' 0 C--N 1.356 0.87 0 C-N-CA 126.417 1.887 . . . . 0.0 110.586 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -78.71 -18.92 53.54 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 124.511 1.125 . . . . 0.0 110.338 -178.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -74.44 -31.0 62.12 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 124.229 1.012 . . . . 0.0 109.692 174.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 71.9 mt -87.83 172.77 7.32 Favored Pre-proline 0 N--CA 1.443 -0.821 0 C-N-CA 125.414 1.486 . . . . 0.0 107.38 174.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -71.9 83.24 1.16 Allowed 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 122.601 2.201 . . . . 0.0 112.973 171.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -105.53 -60.94 1.56 Allowed 'General case' 0 CA--C 1.494 -1.189 0 N-CA-C 103.966 -2.605 . . . . 0.0 103.966 167.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -83.08 -25.59 31.89 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 125.948 1.699 . . . . 0.0 108.395 177.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.53 -24.82 69.4 Favored Glycine 0 C--N 1.356 1.668 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 178.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -85.45 -26.02 26.59 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 124.236 1.014 . . . . 0.0 109.589 176.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -74.73 -25.48 18.97 Favored 'Isoleucine or valine' 0 C--N 1.357 0.915 0 C-N-CA 124.499 1.119 . . . . 0.0 109.57 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -74.97 -17.9 60.47 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 125.632 1.573 . . . . 0.0 111.218 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 49.1 t -73.4 -28.6 25.71 Favored 'Isoleucine or valine' 0 C--N 1.357 0.912 0 C-N-CA 124.818 1.247 . . . . 0.0 110.048 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -78.91 -23.64 44.62 Favored 'General case' 0 CA--C 1.509 -0.61 0 C-N-CA 124.017 0.927 . . . . 0.0 109.88 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.0 t -76.21 -34.68 26.44 Favored 'Isoleucine or valine' 0 C--N 1.357 0.921 0 C-N-CA 124.655 1.182 . . . . 0.0 108.581 177.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -70.48 -30.57 67.4 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 124.391 1.077 . . . . 0.0 111.025 178.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -89.75 -12.79 38.32 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 123.22 0.608 . . . . 0.0 110.88 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -80.6 -60.08 2.45 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.31 -3.31 69.67 Favored Glycine 0 C--N 1.352 1.443 0 CA-C-O 118.951 -0.916 . . . . 0.0 112.528 -173.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 63.32 42.8 6.6 Favored 'General case' 0 C--N 1.361 1.098 0 C-N-CA 124.975 1.31 . . . . 0.0 111.178 -175.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -89.48 147.01 24.24 Favored 'General case' 0 N--CA 1.434 -1.247 0 N-CA-C 106.221 -1.77 . . . . 0.0 106.221 173.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.1 mm 57.3 67.91 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.811 0 C-N-CA 126.148 1.779 . . . . 0.0 109.085 -171.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -156.08 159.8 39.41 Favored 'General case' 0 N--CA 1.433 -1.308 0 N-CA-C 106.519 -1.66 . . . . 0.0 106.519 -170.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -84.44 115.54 22.6 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -178.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.367 1.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.489 ' H2 ' HD21 ' A' ' 5' ' ' LEU . . . . . . . . 0 C--O 1.229 0.009 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 66.41 44.26 2.45 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 125.938 1.695 . . . . 0.0 111.523 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -112.69 12.65 19.74 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 124.279 1.032 . . . . 0.0 108.433 178.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 64.37 45.59 3.75 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 126.119 1.768 . . . . 0.0 109.476 -172.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.489 HD21 ' H2 ' ' A' ' 1' ' ' ACE . 0.3 OUTLIER -97.85 159.11 31.71 Favored Pre-proline 0 N--CA 1.441 -0.888 0 C-N-CA 125.319 1.447 . . . . 0.0 108.509 -173.582 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -86.04 14.62 2.41 Favored 'Trans proline' 0 CA--C 1.508 -0.816 0 C-N-CA 123.273 2.649 . . . . 0.0 110.853 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -93.73 6.04 49.66 Favored 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 124.489 1.116 . . . . 0.0 110.03 -177.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -68.97 -41.29 78.13 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 124.322 1.049 . . . . 0.0 108.925 168.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.47 -14.5 78.28 Favored Glycine 0 C--N 1.355 1.598 0 C-N-CA 124.34 0.971 . . . . 0.0 111.82 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -76.52 -28.83 56.52 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 124.0 0.92 . . . . 0.0 109.597 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 72.8 mt -73.93 -34.84 40.68 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 C-N-CA 125.225 1.41 . . . . 0.0 108.412 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -68.94 -40.31 79.06 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 123.55 0.74 . . . . 0.0 111.156 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.9 t -70.41 -29.24 38.1 Favored 'Isoleucine or valine' 0 C--N 1.357 0.896 0 C-N-CA 125.119 1.368 . . . . 0.0 110.778 -178.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -66.97 -36.07 81.38 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 125.213 1.405 . . . . 0.0 111.742 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 73.5 t -74.48 -35.87 40.01 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 C-N-CA 125.245 1.418 . . . . 0.0 109.457 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -74.1 -30.73 62.48 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 123.877 0.871 . . . . 0.0 110.798 -177.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -78.96 -31.23 44.96 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 125.395 1.478 . . . . 0.0 109.232 -177.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.9 t-80 -75.75 -38.0 58.8 Favored 'General case' 0 C--N 1.353 0.741 0 C-N-CA 124.204 1.002 . . . . 0.0 109.591 178.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.99 -13.56 83.24 Favored Glycine 0 C--N 1.355 1.59 0 C-N-CA 124.505 1.05 . . . . 0.0 112.15 -177.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -95.24 -85.93 0.31 Allowed 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 105.206 -2.146 . . . . 0.0 105.206 173.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.511 ' CG ' ' H ' ' A' ' 22' ' ' ILE . 10.1 t-160 58.17 -126.6 1.55 Allowed 'General case' 0 C--N 1.359 1.011 0 C-N-CA 126.804 2.042 . . . . 0.0 111.15 174.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.511 ' H ' ' CG ' ' A' ' 21' ' ' HIS . 74.7 mt -101.34 -75.02 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.495 -1.135 0 N-CA-C 102.916 -2.994 . . . . 0.0 102.916 173.672 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -93.17 149.06 21.49 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 126.163 1.785 . . . . 0.0 106.42 170.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 13.3 p80 -72.11 126.36 29.58 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 123.745 0.818 . . . . 0.0 110.194 -175.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.368 1.394 0 CA-C-N 115.774 -0.648 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -87.84 -72.08 0.54 Allowed 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 106.942 -1.503 . . . . 0.0 106.942 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 76.83 118.18 0.06 Allowed 'General case' 0 C--N 1.358 0.938 0 C-N-CA 126.861 2.065 . . . . 0.0 109.519 -176.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -94.97 11.96 30.05 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 123.858 0.863 . . . . 0.0 110.685 -168.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -80.44 150.96 71.4 Favored Pre-proline 0 C--N 1.356 0.862 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 177.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.79 87.88 1.43 Allowed 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 123.598 2.865 . . . . 0.0 109.131 171.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -78.31 -27.99 47.35 Favored 'General case' 0 CA--C 1.498 -1.045 0 C-N-CA 124.203 1.001 . . . . 0.0 110.956 -172.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -81.21 -23.24 38.24 Favored 'General case' 0 CA--C 1.506 -0.729 0 C-N-CA 124.942 1.297 . . . . 0.0 109.436 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.87 -19.18 63.82 Favored Glycine 0 C--N 1.355 1.635 0 C-N-CA 124.305 0.955 . . . . 0.0 111.009 177.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -83.08 -26.38 31.13 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 117.785 0.793 . . . . 0.0 109.535 177.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.7 mt -78.92 -31.62 15.08 Favored 'Isoleucine or valine' 0 C--N 1.356 0.887 0 C-N-CA 125.065 1.346 . . . . 0.0 107.928 178.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -68.02 -40.85 82.87 Favored 'General case' 0 C--N 1.353 0.745 0 C-N-CA 124.568 1.147 . . . . 0.0 111.179 -179.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 84.8 t -81.11 -19.31 11.52 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 C-N-CA 124.762 1.225 . . . . 0.0 110.119 -177.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -73.64 -29.79 62.55 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 124.803 1.241 . . . . 0.0 109.757 177.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 75.7 t -75.15 -30.67 23.4 Favored 'Isoleucine or valine' 0 C--N 1.356 0.86 0 C-N-CA 124.462 1.105 . . . . 0.0 109.07 175.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -79.43 -12.92 59.88 Favored 'General case' 0 C--N 1.356 0.874 0 O-C-N 121.637 -0.664 . . . . 0.0 111.529 178.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -93.13 -49.65 5.89 Favored 'General case' 0 CA--C 1.504 -0.82 0 C-N-CA 123.442 0.697 . . . . 0.0 109.645 177.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -69.23 -43.93 73.05 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 124.339 1.056 . . . . 0.0 110.613 -176.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.24 -11.46 62.85 Favored Glycine 0 C--N 1.35 1.328 0 CA-C-O 118.802 -0.999 . . . . 0.0 112.003 -177.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 62.53 51.04 3.36 Favored 'General case' 0 C--N 1.364 1.226 0 C-N-CA 124.591 1.156 . . . . 0.0 111.077 -178.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.515 ' CG ' ' H ' ' A' ' 22' ' ' ILE . 21.9 t-160 57.6 -125.68 1.69 Allowed 'General case' 0 C--N 1.358 0.948 0 C-N-CA 126.532 1.933 . . . . 0.0 111.012 176.331 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.515 ' H ' ' CG ' ' A' ' 21' ' ' HIS . 48.8 pt -98.67 -35.29 4.91 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.869 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 169.505 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -163.76 132.13 3.68 Favored 'General case' 0 N--CA 1.433 -1.317 0 N-CA-C 104.903 -2.258 . . . . 0.0 104.903 172.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 73.0 t60 52.63 63.3 2.29 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.829 1.652 . . . . 0.0 113.389 174.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.367 1.341 0 CA-C-N 116.028 -0.533 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.074 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -100.21 139.9 35.22 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 106.269 -1.752 . . . . 0.0 106.269 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 67.75 88.38 0.11 Allowed 'General case' 0 C--N 1.357 0.925 0 C-N-CA 126.039 1.736 . . . . 0.0 110.561 177.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -125.84 42.75 3.23 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 105.601 -2.0 . . . . 0.0 105.601 177.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 50.2 tp -94.88 135.6 23.54 Favored Pre-proline 0 N--CA 1.439 -0.999 0 N-CA-C 107.135 -1.432 . . . . 0.0 107.135 -176.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -70.02 87.56 0.58 Allowed 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 123.546 2.831 . . . . 0.0 109.855 163.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -78.94 -43.46 24.59 Favored 'General case' 0 CA--C 1.498 -1.023 0 C-N-CA 124.434 1.094 . . . . 0.0 109.021 -172.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -88.48 -1.43 58.05 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 125.515 1.526 . . . . 0.0 109.571 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.31 -4.87 80.4 Favored Glycine 0 C--N 1.356 1.668 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 171.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 -90.51 -34.06 15.7 Favored 'General case' 0 C--N 1.358 0.959 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 172.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.8 mp -72.4 -26.14 24.03 Favored 'Isoleucine or valine' 0 C--N 1.359 0.98 0 C-N-CA 125.978 1.711 . . . . 0.0 108.431 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -60.16 -38.71 84.0 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 125.784 1.634 . . . . 0.0 111.596 175.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.2 t -76.02 -27.47 18.16 Favored 'Isoleucine or valine' 0 C--N 1.357 0.921 0 C-N-CA 125.369 1.468 . . . . 0.0 110.847 -175.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -71.46 -38.68 71.27 Favored 'General case' 0 CA--C 1.505 -0.752 0 C-N-CA 124.308 1.043 . . . . 0.0 110.614 -179.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 82.8 t -77.36 -28.91 16.48 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 C-N-CA 125.453 1.501 . . . . 0.0 108.957 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -69.02 -39.28 79.35 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 124.994 1.318 . . . . 0.0 110.712 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -83.79 -19.79 34.41 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 124.487 1.115 . . . . 0.0 110.281 -177.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -75.03 -48.57 23.4 Favored 'General case' 0 C--N 1.354 0.8 0 C-N-CA 123.92 0.888 . . . . 0.0 109.885 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.45 -32.13 31.8 Favored Glycine 0 C--N 1.353 1.515 0 N-CA-C 111.417 -0.673 . . . . 0.0 111.417 -176.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 66.98 35.5 4.67 Favored 'General case' 0 C--N 1.358 0.948 0 C-N-CA 126.3 1.84 . . . . 0.0 111.56 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -90.93 170.87 9.71 Favored 'General case' 0 N--CA 1.435 -1.184 0 C-N-CA 124.966 1.307 . . . . 0.0 109.262 -179.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 58.0 mt -91.85 -53.13 9.17 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.068 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 -176.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -92.47 129.18 38.48 Favored 'General case' 0 N--CA 1.432 -1.356 0 C-N-CA 125.8 1.64 . . . . 0.0 107.327 176.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -79.9 -64.11 1.26 Allowed 'General case' 0 C--N 1.355 0.811 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.367 1.364 0 O-C-N 123.331 0.394 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.42 ' H1 ' ' HB3' ' A' ' 5' ' ' LEU . . . . . . . . 0 C--O 1.229 0.009 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -90.22 107.31 19.06 Favored 'General case' 0 CA--C 1.502 -0.901 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 74.74 -86.98 0.02 OUTLIER 'General case' 0 C--N 1.358 0.955 0 C-N-CA 128.168 2.587 . . . . 0.0 109.274 178.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -140.66 71.0 1.36 Allowed 'General case' 0 N--CA 1.439 -1.007 0 N-CA-C 104.783 -2.303 . . . . 0.0 104.783 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.42 ' HB3' ' H1 ' ' A' ' 1' ' ' ACE . 6.2 tt -98.87 121.09 57.08 Favored Pre-proline 0 N--CA 1.442 -0.871 0 N-CA-C 105.256 -2.128 . . . . 0.0 105.256 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -79.01 84.1 2.12 Favored 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 123.169 2.58 . . . . 0.0 109.933 176.313 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -81.83 -24.11 36.06 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 124.276 1.03 . . . . 0.0 108.663 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -77.02 -24.02 52.13 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 126.991 2.116 . . . . 0.0 110.303 174.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.39 -28.58 47.79 Favored Glycine 0 C--N 1.347 1.153 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 174.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -83.62 -30.8 26.63 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 124.262 1.025 . . . . 0.0 110.72 -177.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.9 tt -78.15 -17.95 13.77 Favored 'Isoleucine or valine' 0 C--N 1.356 0.873 0 C-N-CA 124.396 1.079 . . . . 0.0 110.246 -175.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -76.17 -38.16 56.97 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 125.421 1.488 . . . . 0.0 109.369 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.3 t -72.64 -30.11 32.62 Favored 'Isoleucine or valine' 0 C--N 1.356 0.868 0 C-N-CA 125.083 1.353 . . . . 0.0 109.838 -178.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.35 -27.58 69.42 Favored 'General case' 0 N--CA 1.439 -1.001 0 C-N-CA 126.098 1.759 . . . . 0.0 113.446 178.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.9 t -70.06 -40.99 79.09 Favored 'Isoleucine or valine' 0 C--N 1.359 0.989 0 C-N-CA 124.698 1.199 . . . . 0.0 109.411 178.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -72.44 -35.11 68.22 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 124.457 1.103 . . . . 0.0 110.097 -177.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -71.94 -29.02 63.85 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 125.342 1.457 . . . . 0.0 110.638 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -74.3 -16.46 60.93 Favored 'General case' 0 C--N 1.356 0.882 0 C-N-CA 124.77 1.228 . . . . 0.0 111.169 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.01 -30.22 59.54 Favored Glycine 0 C--N 1.356 1.687 0 C-N-CA 124.249 0.928 . . . . 0.0 111.044 176.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -82.64 -30.7 29.21 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 123.661 0.785 . . . . 0.0 109.079 175.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -76.18 167.17 22.35 Favored 'General case' 0 C--N 1.356 0.884 0 C-N-CA 123.753 0.821 . . . . 0.0 109.87 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 68.5 mt -88.45 -57.71 4.03 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.028 0 N-CA-C 104.34 -2.467 . . . . 0.0 104.34 170.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -142.38 151.72 42.15 Favored 'General case' 0 N--CA 1.429 -1.489 0 N-CA-C 105.065 -2.198 . . . . 0.0 105.065 168.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 13.7 t-160 -85.0 118.54 24.63 Favored 'General case' 0 N--CA 1.442 -0.828 0 N-CA-C 107.805 -1.184 . . . . 0.0 107.805 -178.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.367 1.341 0 CA-C-N 116.277 -0.419 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.008 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -83.14 -66.22 0.92 Allowed 'General case' 0 C--N 1.359 1.004 0 C-N-CA 127.021 2.128 . . . . 0.0 107.778 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -95.65 91.2 6.0 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-O 121.768 0.794 . . . . 0.0 109.16 -173.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -87.08 -54.07 4.52 Favored 'General case' 0 CA--C 1.504 -0.819 0 N-CA-C 105.012 -2.218 . . . . 0.0 105.012 165.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 86.6 mt -88.8 171.0 9.84 Favored Pre-proline 0 N--CA 1.443 -0.806 0 N-CA-C 105.367 -2.086 . . . . 0.0 105.367 167.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -74.47 84.95 1.49 Allowed 'Trans proline' 0 N--CA 1.457 -0.641 0 CA-C-N 123.173 2.169 . . . . 0.0 109.064 168.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -87.78 -26.1 23.04 Favored 'General case' 0 CA--C 1.494 -1.175 0 C-N-CA 124.519 1.128 . . . . 0.0 110.087 -171.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -82.31 -22.33 35.67 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 172.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.26 -13.86 75.71 Favored Glycine 0 C--N 1.356 1.656 0 C-N-CA 124.437 1.017 . . . . 0.0 111.205 176.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -88.54 -27.18 21.58 Favored 'General case' 0 C--N 1.357 0.917 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 174.005 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -76.2 -24.11 16.15 Favored 'Isoleucine or valine' 0 C--N 1.357 0.901 0 C-N-CA 125.436 1.494 . . . . 0.0 108.9 176.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -72.76 -21.73 60.96 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 125.398 1.479 . . . . 0.0 111.03 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.8 t -72.92 -31.35 35.55 Favored 'Isoleucine or valine' 0 C--N 1.357 0.919 0 C-N-CA 124.669 1.188 . . . . 0.0 110.11 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.03 -31.61 64.55 Favored 'General case' 0 CA--C 1.511 -0.535 0 C-N-CA 124.571 1.148 . . . . 0.0 110.02 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 68.1 t -75.12 -34.52 31.86 Favored 'Isoleucine or valine' 0 C--N 1.356 0.854 0 C-N-CA 124.878 1.271 . . . . 0.0 108.991 178.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -69.85 -33.76 72.7 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 125.061 1.344 . . . . 0.0 110.399 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -81.04 -26.86 36.04 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 124.475 1.11 . . . . 0.0 110.345 -178.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -70.05 -45.72 66.51 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 124.574 1.15 . . . . 0.0 110.575 -176.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.69 -39.26 18.08 Favored Glycine 0 C--N 1.353 1.502 0 N-CA-C 109.75 -1.34 . . . . 0.0 109.75 177.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 68.56 68.35 0.31 Allowed 'General case' 0 C--N 1.357 0.916 0 C-N-CA 126.711 2.004 . . . . 0.0 109.263 178.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -86.77 148.75 25.28 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.13 -171.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.5 mm -102.76 -56.62 5.02 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.123 0 N-CA-C 103.945 -2.613 . . . . 0.0 103.945 172.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -139.86 150.3 44.47 Favored 'General case' 0 N--CA 1.428 -1.538 0 N-CA-C 105.09 -2.189 . . . . 0.0 105.09 172.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 50.4 m80 -87.51 -63.09 1.36 Allowed 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.368 1.403 0 O-C-N 123.124 0.265 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.073 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -92.1 144.98 24.88 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -93.96 88.91 5.87 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 105.455 -2.054 . . . . 0.0 105.455 177.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -87.18 -55.59 3.75 Favored 'General case' 0 CA--C 1.498 -1.033 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.0 mp -89.64 150.46 44.24 Favored Pre-proline 0 N--CA 1.442 -0.846 0 N-CA-C 105.617 -1.994 . . . . 0.0 105.617 174.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -82.2 6.99 5.36 Favored 'Trans proline' 0 CA--C 1.505 -0.943 0 C-N-CA 123.534 2.822 . . . . 0.0 111.014 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -90.54 -24.77 20.52 Favored 'General case' 0 CA--C 1.499 -0.989 0 C-N-CA 126.69 1.996 . . . . 0.0 108.059 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -85.05 -14.48 47.16 Favored 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 125.344 1.458 . . . . 0.0 107.743 171.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.6 -31.49 45.09 Favored Glycine 0 C--N 1.355 1.594 0 N-CA-C 109.594 -1.402 . . . . 0.0 109.594 171.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 -84.59 -14.23 49.37 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 124.238 1.015 . . . . 0.0 111.218 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.3 tp -78.9 -22.33 12.82 Favored 'Isoleucine or valine' 0 C--N 1.36 1.063 0 C-N-CA 123.106 0.562 . . . . 0.0 109.966 -177.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -77.43 -31.62 54.07 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 125.286 1.434 . . . . 0.0 109.512 177.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 45.7 t -76.11 -23.55 16.04 Favored 'Isoleucine or valine' 0 C--N 1.357 0.906 0 C-N-CA 125.238 1.415 . . . . 0.0 109.091 178.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -75.73 -24.16 56.11 Favored 'General case' 0 N--CA 1.443 -0.82 0 C-N-CA 124.911 1.285 . . . . 0.0 111.584 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.2 t -73.56 -38.76 52.92 Favored 'Isoleucine or valine' 0 C--N 1.358 0.953 0 C-N-CA 124.337 1.055 . . . . 0.0 108.425 175.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -73.54 -23.82 60.04 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 124.706 1.202 . . . . 0.0 110.317 178.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -75.07 -32.21 61.44 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 125.131 1.373 . . . . 0.0 109.413 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 52.5 m170 -80.78 -10.74 59.7 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 124.47 1.108 . . . . 0.0 110.841 177.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.1 -45.18 4.21 Favored Glycine 0 C--N 1.355 1.592 0 N-CA-C 110.253 -1.139 . . . . 0.0 110.253 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -83.05 -35.92 25.35 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 123.683 0.793 . . . . 0.0 110.602 -172.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -118.31 159.75 22.84 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 105.851 -1.907 . . . . 0.0 105.851 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . 0.354 13.1 tt 50.38 39.47 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.36 1.042 0 C-N-CA 128.277 2.631 . . . . 0.0 112.814 -178.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 14.3 t-160 -172.54 -63.16 0.02 OUTLIER 'General case' 0 N--CA 1.436 -1.153 0 N-CA-C 102.906 -2.998 . . . . 0.0 102.906 -176.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 65.9 m-70 66.16 56.46 0.82 Allowed 'General case' 0 C--N 1.356 0.861 0 C-N-CA 125.642 1.577 . . . . 0.0 111.281 177.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.368 1.398 0 CA-C-N 115.8 -0.636 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.009 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -99.26 176.87 5.39 Favored 'General case' 0 CA--C 1.504 -0.822 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 77.0 130.88 0.05 OUTLIER 'General case' 0 C--N 1.358 0.955 0 C-N-CA 127.013 2.125 . . . . 0.0 110.555 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -139.52 85.7 2.07 Favored 'General case' 0 N--CA 1.435 -1.205 0 N-CA-C 102.376 -3.194 . . . . 0.0 102.376 174.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.8 mt -83.59 161.41 56.46 Favored Pre-proline 0 N--CA 1.44 -0.969 0 C-N-CA 124.859 1.264 . . . . 0.0 107.59 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -82.04 10.01 3.71 Favored 'Trans proline' 0 CA--C 1.509 -0.728 0 C-N-CA 123.085 2.524 . . . . 0.0 111.135 176.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -106.8 -31.29 8.46 Favored 'General case' 0 N--CA 1.439 -1.016 0 C-N-CA 126.612 1.965 . . . . 0.0 106.546 175.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -79.3 -11.12 59.94 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 126.149 1.779 . . . . 0.0 109.87 179.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.85 -21.86 73.29 Favored Glycine 0 C--N 1.355 1.599 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 175.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.9 m80 -85.73 -27.75 25.06 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 124.232 1.013 . . . . 0.0 109.329 177.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.2 mt -82.22 -26.93 9.07 Favored 'Isoleucine or valine' 0 C--N 1.355 0.824 0 C-N-CA 125.397 1.479 . . . . 0.0 107.908 -176.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -70.84 -40.15 72.56 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 125.107 1.363 . . . . 0.0 110.503 178.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.2 t -78.76 -19.14 13.15 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 C-N-CA 124.835 1.254 . . . . 0.0 109.901 -177.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.1 -34.37 77.88 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 125.36 1.464 . . . . 0.0 112.119 176.683 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 43.7 t -73.97 -34.01 38.06 Favored 'Isoleucine or valine' 0 C--N 1.358 0.943 0 C-N-CA 125.264 1.426 . . . . 0.0 109.263 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -69.29 -37.14 77.68 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 124.661 1.184 . . . . 0.0 110.464 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -77.97 -23.06 48.56 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 124.033 0.933 . . . . 0.0 110.76 -178.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -73.28 -45.56 54.9 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 123.86 0.864 . . . . 0.0 109.187 177.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.87 20.73 37.5 Favored Glycine 0 C--N 1.355 1.604 0 C-N-CA 123.754 0.692 . . . . 0.0 112.058 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -82.37 -41.85 19.43 Favored 'General case' 0 C--N 1.356 0.882 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 175.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -75.86 178.12 6.44 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 124.556 1.143 . . . . 0.0 111.915 -173.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 66.7 mt -85.14 -68.91 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.498 -1.052 0 N-CA-C 106.086 -1.82 . . . . 0.0 106.086 179.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -89.31 126.84 35.68 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 125.419 1.487 . . . . 0.0 107.71 175.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 17.7 p-80 -163.75 127.58 2.72 Favored 'General case' 0 N--CA 1.435 -1.183 0 N-CA-C 105.331 -2.1 . . . . 0.0 105.331 179.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.367 1.336 0 CA-C-N 116.286 -0.415 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.07 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 68.8 -113.58 0.12 Allowed 'General case' 0 C--N 1.357 0.904 0 C-N-CA 126.088 1.755 . . . . 0.0 109.904 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 77.95 133.02 0.06 Allowed 'General case' 0 C--N 1.36 1.038 0 C-N-CA 126.986 2.115 . . . . 0.0 111.203 177.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -94.41 -72.23 0.63 Allowed 'General case' 0 CA--C 1.499 -1.018 0 N-CA-C 104.025 -2.583 . . . . 0.0 104.025 171.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.7 mp -95.25 143.6 26.39 Favored Pre-proline 0 N--CA 1.442 -0.859 0 N-CA-C 104.564 -2.384 . . . . 0.0 104.564 165.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -69.41 92.36 0.48 Allowed 'Trans proline' 0 N--CA 1.455 -0.744 0 C-N-CA 123.163 2.576 . . . . 0.0 111.067 167.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -87.15 -27.64 22.94 Favored 'General case' 0 CA--C 1.505 -0.76 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -86.11 -12.92 48.73 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 125.698 1.599 . . . . 0.0 109.723 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.36 -30.95 11.13 Favored Glycine 0 C--N 1.355 1.598 0 N-CA-C 108.909 -1.676 . . . . 0.0 108.909 172.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -90.53 5.53 47.35 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 124.557 1.143 . . . . 0.0 110.659 -177.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.3 tp -70.19 -29.98 41.73 Favored 'Isoleucine or valine' 0 C--N 1.357 0.931 0 C-N-CA 124.598 1.159 . . . . 0.0 111.435 -172.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -75.66 -35.13 60.49 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 125.436 1.495 . . . . 0.0 108.987 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.1 t -73.87 -21.96 18.33 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 C-N-CA 125.432 1.493 . . . . 0.0 111.04 -171.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -69.62 -40.91 76.31 Favored 'General case' 0 CA--C 1.507 -0.69 0 C-N-CA 123.937 0.895 . . . . 0.0 110.452 176.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.6 t -75.38 -36.56 36.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 C-N-CA 125.22 1.408 . . . . 0.0 109.132 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -68.38 -45.6 72.29 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 125.427 1.491 . . . . 0.0 110.568 -176.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -77.95 -18.49 55.97 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 124.644 1.177 . . . . 0.0 110.723 -174.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -75.24 -45.25 41.4 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 123.626 0.77 . . . . 0.0 109.902 176.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.86 -23.54 63.94 Favored Glycine 0 C--N 1.354 1.572 0 C-N-CA 123.823 0.725 . . . . 0.0 111.939 -176.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -80.68 -56.45 4.14 Favored 'General case' 0 CA--C 1.503 -0.828 0 C-N-CA 124.642 1.177 . . . . 0.0 108.094 178.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 71.26 143.71 0.06 Allowed 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 128.129 2.571 . . . . 0.0 112.601 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.2 mt -95.81 -55.56 5.99 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.069 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 -175.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.585 ' CG ' ' H ' ' A' ' 24' ' ' HIS . 9.2 t-160 72.72 -154.78 0.08 Allowed 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 127.165 2.186 . . . . 0.0 109.951 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.585 ' H ' ' CG ' ' A' ' 23' ' ' HIS . 61.8 t-80 -90.82 119.37 30.98 Favored 'General case' 0 N--CA 1.438 -1.042 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.368 1.384 0 CA-C-N 116.331 -0.395 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.041 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -90.54 -69.6 0.72 Allowed 'General case' 0 C--N 1.359 0.979 0 C-N-CA 127.066 2.146 . . . . 0.0 106.692 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -90.72 -9.58 46.2 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 124.077 0.951 . . . . 0.0 109.453 174.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -110.93 65.21 0.61 Allowed 'General case' 0 N--CA 1.438 -1.025 0 N-CA-C 105.804 -1.924 . . . . 0.0 105.804 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.1 mp -71.42 143.45 87.87 Favored Pre-proline 0 C--N 1.354 0.78 0 C-N-CA 124.024 0.929 . . . . 0.0 109.93 -176.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -68.77 95.54 0.48 Allowed 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 123.371 2.714 . . . . 0.0 110.402 164.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -93.55 -55.27 3.34 Favored 'General case' 0 CA--C 1.497 -1.082 0 N-CA-C 106.113 -1.81 . . . . 0.0 106.113 177.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -87.43 -5.82 58.68 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 125.89 1.676 . . . . 0.0 110.085 -179.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.54 -41.18 5.49 Favored Glycine 0 C--N 1.354 1.567 0 N-CA-C 109.372 -1.491 . . . . 0.0 109.372 177.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -84.34 -16.27 43.53 Favored 'General case' 0 C--N 1.355 0.847 0 C-N-CA 123.49 0.716 . . . . 0.0 111.56 -173.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.0 tt -73.19 -23.15 19.78 Favored 'Isoleucine or valine' 0 C--N 1.357 0.901 0 O-C-N 121.525 -0.734 . . . . 0.0 110.316 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -75.18 -30.73 60.75 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 125.417 1.487 . . . . 0.0 110.21 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.5 t -73.43 -31.72 34.32 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 C-N-CA 125.101 1.36 . . . . 0.0 109.364 179.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -78.24 -0.44 28.62 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 125.364 1.466 . . . . 0.0 112.43 -178.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.7 t -83.39 -43.79 18.32 Favored 'Isoleucine or valine' 0 C--N 1.354 0.783 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 172.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -77.36 -30.71 53.96 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 124.503 1.121 . . . . 0.0 110.426 -177.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -78.55 -42.33 29.62 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 124.541 1.137 . . . . 0.0 110.155 -174.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -86.18 -12.57 49.43 Favored 'General case' 0 C--N 1.356 0.884 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -176.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.43 -25.54 39.09 Favored Glycine 0 C--N 1.354 1.561 0 N-CA-C 110.136 -1.186 . . . . 0.0 110.136 175.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -83.55 -74.98 0.35 Allowed 'General case' 0 C--N 1.357 0.918 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -93.66 145.55 24.48 Favored 'General case' 0 N--CA 1.433 -1.295 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 178.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.3 mp -117.86 -77.85 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.497 -1.089 0 N-CA-C 104.361 -2.459 . . . . 0.0 104.361 -178.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.4 t-160 -149.25 -59.47 0.21 Allowed 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 105.625 -1.991 . . . . 0.0 105.625 -178.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 62.1 m80 64.59 -122.45 0.45 Allowed 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.224 1.41 . . . . 0.0 109.91 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.365 1.265 0 O-C-N 123.183 0.302 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.028 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 30.7 t80 74.11 120.65 0.04 OUTLIER 'General case' 0 C--N 1.356 0.87 0 C-N-CA 127.367 2.267 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -105.56 -118.81 0.23 Allowed 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 104.455 -2.424 . . . . 0.0 104.455 171.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -98.52 -31.51 11.93 Favored 'General case' 0 CA--C 1.503 -0.843 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 172.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 78.8 mt -90.08 145.02 32.15 Favored Pre-proline 0 N--CA 1.441 -0.919 0 C-N-CA 124.554 1.141 . . . . 0.0 108.276 -176.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -83.09 19.46 1.32 Allowed 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 123.996 3.131 . . . . 0.0 110.857 175.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -80.16 -43.95 20.72 Favored 'General case' 0 CA--C 1.5 -0.952 0 C-N-CA 125.567 1.547 . . . . 0.0 107.653 178.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -87.68 -10.71 50.49 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 125.118 1.367 . . . . 0.0 108.653 175.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.85 -2.17 90.64 Favored Glycine 0 C--N 1.357 1.741 0 C-N-CA 124.625 1.107 . . . . 0.0 111.447 174.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -86.65 -39.36 16.17 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 170.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.8 mp -68.91 -26.96 33.8 Favored 'Isoleucine or valine' 0 C--N 1.357 0.929 0 C-N-CA 126.181 1.792 . . . . 0.0 108.869 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -58.25 -41.22 83.74 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 125.873 1.669 . . . . 0.0 111.3 174.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.3 t -70.51 -29.53 38.96 Favored 'Isoleucine or valine' 0 C--N 1.357 0.928 0 C-N-CA 125.448 1.499 . . . . 0.0 111.519 -175.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.73 -38.63 70.44 Favored 'General case' 0 CA--C 1.51 -0.579 0 C-N-CA 123.913 0.885 . . . . 0.0 109.799 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.8 t -74.87 -30.91 24.78 Favored 'Isoleucine or valine' 0 C--N 1.355 0.812 0 C-N-CA 125.096 1.358 . . . . 0.0 109.607 -179.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -68.38 -41.75 80.12 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 125.897 1.679 . . . . 0.0 110.079 -178.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -77.69 -31.68 52.58 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 125.044 1.337 . . . . 0.0 110.42 -177.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -72.09 -35.45 69.22 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 124.902 1.281 . . . . 0.0 110.444 -178.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.86 -18.56 79.51 Favored Glycine 0 C--N 1.356 1.646 0 C-N-CA 124.042 0.829 . . . . 0.0 111.726 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 76.37 78.03 0.09 Allowed 'General case' 0 C--N 1.359 0.991 0 C-N-CA 126.675 1.99 . . . . 0.0 108.614 176.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 51.6 p-80 -79.09 160.47 27.05 Favored 'General case' 0 N--CA 1.437 -1.116 0 C-N-CA 124.368 1.067 . . . . 0.0 110.803 -178.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 69.4 mt -102.37 -67.17 1.06 Allowed 'Isoleucine or valine' 0 CA--C 1.498 -1.051 0 N-CA-C 104.506 -2.405 . . . . 0.0 104.506 175.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 74.24 130.93 0.04 OUTLIER 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 128.157 2.583 . . . . 0.0 111.307 177.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 62.9 t-80 -89.49 115.87 27.24 Favored 'General case' 0 N--CA 1.441 -0.913 0 N-CA-C 107.151 -1.426 . . . . 0.0 107.151 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.367 1.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.053 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -91.74 151.48 20.61 Favored 'General case' 0 CA--C 1.501 -0.906 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -105.31 -112.59 0.26 Allowed 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 106.201 -1.778 . . . . 0.0 106.201 -178.27 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -98.11 26.13 5.55 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 125.41 1.484 . . . . 0.0 108.26 174.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 76.4 mt -84.27 157.29 62.41 Favored Pre-proline 0 N--CA 1.439 -1.004 0 C-N-CA 125.01 1.324 . . . . 0.0 109.042 -173.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -74.06 93.25 0.88 Allowed 'Trans proline' 0 N--CA 1.452 -0.926 0 C-N-CA 123.22 2.613 . . . . 0.0 109.11 167.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -70.32 -31.73 69.17 Favored 'General case' 0 CA--C 1.504 -0.816 0 C-N-CA 125.266 1.426 . . . . 0.0 111.846 -178.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -82.5 -7.19 59.65 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 125.88 1.672 . . . . 0.0 110.7 177.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.67 -34.97 7.52 Favored Glycine 0 C--N 1.353 1.489 0 N-CA-C 108.39 -1.884 . . . . 0.0 108.39 172.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -87.79 -1.33 57.9 Favored 'General case' 0 C--N 1.356 0.848 0 C-N-CA 124.627 1.171 . . . . 0.0 111.215 -177.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.7 tp -79.87 -23.19 11.89 Favored 'Isoleucine or valine' 0 C--N 1.358 0.966 0 C-N-CA 123.688 0.795 . . . . 0.0 108.894 178.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -78.56 -35.42 46.03 Favored 'General case' 0 N--CA 1.439 -0.985 0 C-N-CA 125.482 1.513 . . . . 0.0 108.867 178.418 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.0 t -71.06 -30.79 42.62 Favored 'Isoleucine or valine' 0 C--N 1.357 0.898 0 C-N-CA 125.728 1.611 . . . . 0.0 110.007 -178.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -65.67 -36.61 84.15 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 126.13 1.772 . . . . 0.0 111.812 178.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 89.3 t -75.08 -32.31 26.48 Favored 'Isoleucine or valine' 0 C--N 1.357 0.925 0 C-N-CA 125.23 1.412 . . . . 0.0 109.507 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -73.88 -30.61 62.73 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 123.599 0.76 . . . . 0.0 110.608 -179.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -80.27 -25.04 39.66 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 124.612 1.165 . . . . 0.0 110.092 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -78.98 -36.06 41.96 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 124.374 1.07 . . . . 0.0 109.489 179.376 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.27 -19.31 72.22 Favored Glycine 0 C--N 1.356 1.654 0 C-N-CA 124.308 0.956 . . . . 0.0 111.262 -179.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -78.58 -54.15 6.44 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 174.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.553 ' CG ' ' H ' ' A' ' 22' ' ' ILE . 6.0 t-80 66.39 -147.73 0.19 Allowed 'General case' 0 C--N 1.358 0.936 0 C-N-CA 126.242 1.817 . . . . 0.0 110.557 176.163 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.553 ' H ' ' CG ' ' A' ' 21' ' ' HIS . 4.8 mp -101.94 -71.44 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.496 -1.099 0 N-CA-C 103.013 -2.958 . . . . 0.0 103.013 174.172 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -155.09 -94.0 0.04 OUTLIER 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 103.944 -2.613 . . . . 0.0 103.944 174.723 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -80.78 -58.87 2.9 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 123.591 0.756 . . . . 0.0 109.086 178.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.367 1.341 0 O-C-N 123.309 0.381 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.057 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -96.13 171.34 8.67 Favored 'General case' 0 CA--C 1.502 -0.895 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -86.45 -65.28 1.03 Allowed 'General case' 0 N--CA 1.441 -0.878 0 N-CA-C 106.996 -1.483 . . . . 0.0 106.996 176.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.8 t70 64.41 52.94 1.75 Allowed 'General case' 0 C--N 1.358 0.961 0 C-N-CA 126.187 1.795 . . . . 0.0 109.99 179.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.6 tt -154.12 122.91 3.08 Favored Pre-proline 0 N--CA 1.438 -1.039 0 N-CA-C 103.044 -2.947 . . . . 0.0 103.044 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -75.8 88.71 1.28 Allowed 'Trans proline' 0 N--CA 1.454 -0.801 0 C-N-CA 123.18 2.587 . . . . 0.0 109.663 171.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -90.01 -59.18 2.26 Favored 'General case' 0 CA--C 1.496 -1.116 0 N-CA-C 106.263 -1.755 . . . . 0.0 106.263 178.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -82.62 -22.26 34.79 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 125.994 1.718 . . . . 0.0 108.668 176.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.78 -27.91 68.12 Favored Glycine 0 C--N 1.356 1.657 0 C-N-CA 124.033 0.825 . . . . 0.0 111.063 178.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -80.07 -39.74 29.1 Favored 'General case' 0 CA--C 1.503 -0.833 0 C-N-CA 123.726 0.81 . . . . 0.0 109.18 174.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.18 -27.84 36.55 Favored 'Isoleucine or valine' 0 C--N 1.357 0.928 0 C-N-CA 124.88 1.272 . . . . 0.0 111.755 -171.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -73.45 -42.34 62.09 Favored 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 124.685 1.194 . . . . 0.0 110.065 -177.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 63.8 t -77.12 -25.04 15.24 Favored 'Isoleucine or valine' 0 C--N 1.355 0.817 0 C-N-CA 125.484 1.513 . . . . 0.0 110.201 -177.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -73.05 -34.06 66.07 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 126.028 1.731 . . . . 0.0 110.041 -176.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.9 t -74.46 -34.56 36.28 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 C-N-CA 124.614 1.166 . . . . 0.0 109.396 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.9 m-30 -72.4 -33.24 67.02 Favored 'General case' 0 C--N 1.356 0.875 0 C-N-CA 123.722 0.809 . . . . 0.0 110.875 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.5 t-20 -81.31 -24.45 37.17 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 124.996 1.319 . . . . 0.0 109.623 -177.307 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -80.06 -26.73 39.56 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 124.087 0.955 . . . . 0.0 109.968 177.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.94 -19.92 60.38 Favored Glycine 0 C--N 1.356 1.645 0 N-CA-C 110.494 -1.042 . . . . 0.0 110.494 177.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -82.08 -71.42 0.48 Allowed 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 178.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -89.92 115.59 27.34 Favored 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 106.951 -1.5 . . . . 0.0 106.951 177.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 19.3 mt -114.77 62.18 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 N-CA-C 103.266 -2.865 . . . . 0.0 103.266 -177.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 68.05 -115.3 0.17 Allowed 'General case' 0 C--N 1.354 0.799 0 C-N-CA 126.575 1.95 . . . . 0.0 109.54 -178.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -85.31 121.25 27.78 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 179.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.366 1.316 0 CA-C-N 116.325 -0.398 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.007 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . 0.367 32.8 p90 58.65 175.16 0.07 Allowed 'General case' 0 C--N 1.358 0.962 0 C-N-CA 128.213 2.605 . . . . 0.0 114.86 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -123.83 -91.44 0.55 Allowed 'General case' 0 CA--C 1.501 -0.927 0 N-CA-C 105.64 -1.985 . . . . 0.0 105.64 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . 0.341 1.5 p30 46.74 64.61 1.47 Allowed 'General case' 0 C--N 1.36 1.03 0 C-N-CA 127.43 2.292 . . . . 0.0 113.969 -177.073 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.8 mp -89.05 164.84 29.43 Favored Pre-proline 0 N--CA 1.444 -0.761 0 N-CA-C 105.607 -1.997 . . . . 0.0 105.607 176.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -80.72 17.75 1.36 Allowed 'Trans proline' 0 CA--C 1.513 -0.539 0 C-N-CA 123.52 2.813 . . . . 0.0 111.258 174.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -102.8 -35.32 8.68 Favored 'General case' 0 CA--C 1.497 -1.083 0 C-N-CA 126.209 1.803 . . . . 0.0 106.641 175.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -88.46 -9.77 51.38 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 125.911 1.684 . . . . 0.0 109.62 177.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.94 -35.5 7.14 Favored Glycine 0 C--N 1.355 1.59 0 N-CA-C 108.613 -1.795 . . . . 0.0 108.613 173.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -91.11 9.83 29.36 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 124.734 1.214 . . . . 0.0 110.357 -177.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.1 tp -67.59 -33.19 60.55 Favored 'Isoleucine or valine' 0 C--N 1.357 0.908 0 C-N-CA 124.514 1.126 . . . . 0.0 111.857 -173.144 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -80.15 -27.04 39.11 Favored 'General case' 0 C--N 1.355 0.847 0 C-N-CA 124.489 1.116 . . . . 0.0 110.057 -177.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.8 t -72.99 -28.66 27.01 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 C-N-CA 124.709 1.204 . . . . 0.0 110.126 -176.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -70.09 -41.1 74.51 Favored 'General case' 0 CA--C 1.508 -0.649 0 C-N-CA 125.322 1.449 . . . . 0.0 110.238 178.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 89.9 t -71.15 -35.33 58.05 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 C-N-CA 125.052 1.341 . . . . 0.0 109.565 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -72.35 -26.91 62.1 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 125.42 1.488 . . . . 0.0 110.595 -178.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -81.75 -42.11 20.26 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 124.639 1.175 . . . . 0.0 109.497 -178.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 59.2 m170 -72.68 -38.19 67.67 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 124.821 1.248 . . . . 0.0 110.759 -174.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.12 -28.46 56.15 Favored Glycine 0 C--N 1.353 1.52 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 177.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 71.26 73.59 0.18 Allowed 'General case' 0 C--N 1.357 0.899 0 C-N-CA 126.67 1.988 . . . . 0.0 109.692 177.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . 0.273 4.1 p-80 61.72 170.84 0.12 Allowed 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 128.304 2.642 . . . . 0.0 115.364 176.637 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.4 pt -110.41 -21.81 5.39 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.769 0 C-N-CA 124.37 1.068 . . . . 0.0 109.005 176.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -152.51 141.33 21.05 Favored 'General case' 0 N--CA 1.431 -1.377 0 N-CA-C 104.981 -2.229 . . . . 0.0 104.981 178.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -83.67 117.99 23.56 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 -176.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.367 1.367 0 CA-C-N 116.123 -0.49 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -80.33 -46.53 15.95 Favored 'General case' 0 C--N 1.353 0.727 0 C-N-CA 124.231 1.012 . . . . 0.0 108.398 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -89.21 -56.7 3.16 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 174.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.9 t0 67.09 63.4 0.46 Allowed 'General case' 0 C--N 1.359 1.013 0 C-N-CA 126.127 1.771 . . . . 0.0 109.195 179.073 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.599 ' H ' HD23 ' A' ' 5' ' ' LEU . 2.0 pt? -92.99 151.82 40.91 Favored Pre-proline 0 N--CA 1.44 -0.944 0 C-N-CA 124.469 1.108 . . . . 0.0 108.189 -179.025 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -82.28 72.38 6.13 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 123.182 2.588 . . . . 0.0 109.918 171.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -84.53 -61.52 1.78 Allowed 'General case' 0 CA--C 1.497 -1.065 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 171.568 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -82.66 -16.23 49.01 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 125.556 1.542 . . . . 0.0 108.76 176.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.23 -12.18 83.49 Favored Glycine 0 C--N 1.357 1.706 0 C-N-CA 124.08 0.848 . . . . 0.0 111.638 177.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -88.83 -31.75 18.16 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 124.355 1.062 . . . . 0.0 108.738 173.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.6 mp -73.91 -26.18 21.07 Favored 'Isoleucine or valine' 0 C--N 1.357 0.902 0 C-N-CA 125.331 1.452 . . . . 0.0 108.646 178.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -66.68 -30.36 70.59 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 125.324 1.45 . . . . 0.0 111.346 178.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.0 t -71.97 -31.77 41.7 Favored 'Isoleucine or valine' 0 C--N 1.358 0.937 0 C-N-CA 124.83 1.252 . . . . 0.0 110.372 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -73.95 -34.0 64.12 Favored 'General case' 0 CA--C 1.508 -0.665 0 C-N-CA 125.154 1.382 . . . . 0.0 111.205 -176.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.4 t -73.63 -36.77 48.05 Favored 'Isoleucine or valine' 0 C--N 1.357 0.908 0 C-N-CA 125.007 1.323 . . . . 0.0 108.714 179.032 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -68.88 -38.43 79.66 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 124.512 1.125 . . . . 0.0 110.031 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -73.7 -21.79 60.13 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 124.911 1.284 . . . . 0.0 111.067 -175.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -70.4 -46.93 63.01 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 123.732 0.813 . . . . 0.0 110.512 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.22 -16.07 51.57 Favored Glycine 0 C--N 1.353 1.487 0 CA-C-O 119.754 -0.47 . . . . 0.0 112.756 -176.156 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -153.1 73.94 1.01 Allowed 'General case' 0 CA--C 1.495 -1.168 0 N-CA-C 103.817 -2.66 . . . . 0.0 103.817 -169.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 71.3 m80 -61.51 122.08 14.33 Favored 'General case' 0 CA--C 1.507 -0.703 0 C-N-CA 125.127 1.371 . . . . 0.0 111.725 178.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 42.7 mm -108.88 -79.48 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.499 -0.988 0 N-CA-C 104.333 -2.469 . . . . 0.0 104.333 177.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 -154.99 -81.47 0.08 Allowed 'General case' 0 N--CA 1.431 -1.397 0 N-CA-C 104.42 -2.437 . . . . 0.0 104.42 178.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 -83.43 129.52 34.99 Favored 'General case' 0 N--CA 1.439 -1.002 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 178.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.367 1.338 0 O-C-N 123.417 0.448 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.011 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -87.02 -43.17 12.53 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 126.861 2.065 . . . . 0.0 109.009 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -128.94 102.42 6.51 Favored 'General case' 0 N--CA 1.437 -1.119 0 N-CA-C 103.458 -2.793 . . . . 0.0 103.458 179.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -89.39 -35.21 16.18 Favored 'General case' 0 CA--C 1.496 -1.109 0 C-N-CA 124.018 0.927 . . . . 0.0 111.57 -165.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 73.1 mt -75.52 157.26 84.59 Favored Pre-proline 0 N--CA 1.446 -0.655 0 C-N-CA 124.742 1.217 . . . . 0.0 109.43 -172.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -77.89 85.38 1.82 Allowed 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 122.923 2.416 . . . . 0.0 110.313 176.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -93.04 -32.52 14.45 Favored 'General case' 0 CA--C 1.502 -0.886 0 N-CA-C 105.823 -1.917 . . . . 0.0 105.823 170.119 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -71.7 -34.28 69.5 Favored 'General case' 0 N--CA 1.443 -0.825 0 C-N-CA 126.628 1.971 . . . . 0.0 109.668 173.092 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.91 -7.98 80.06 Favored Glycine 0 C--N 1.353 1.522 0 C-N-CA 124.471 1.034 . . . . 0.0 111.593 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -87.54 -39.59 15.0 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 174.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.4 mt -74.29 -24.59 19.06 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 C-N-CA 125.433 1.493 . . . . 0.0 108.654 -177.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -62.16 -33.0 73.67 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 125.572 1.549 . . . . 0.0 111.754 175.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.4 t -74.7 -29.9 23.93 Favored 'Isoleucine or valine' 0 C--N 1.358 0.956 0 C-N-CA 124.917 1.287 . . . . 0.0 110.666 -178.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.08 -32.97 61.61 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 124.304 1.042 . . . . 0.0 110.124 -179.491 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 69.8 t -74.16 -35.44 40.85 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 C-N-CA 124.685 1.194 . . . . 0.0 108.823 178.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -71.2 -33.65 70.13 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 124.647 1.179 . . . . 0.0 110.32 179.109 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -74.38 -31.19 62.28 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 124.84 1.256 . . . . 0.0 109.942 -177.014 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -75.68 -39.89 56.76 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 124.653 1.181 . . . . 0.0 109.802 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.92 -23.82 68.35 Favored Glycine 0 C--N 1.355 1.636 0 C-N-CA 124.2 0.905 . . . . 0.0 112.009 -176.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -80.56 -51.76 8.39 Favored 'General case' 0 N--CA 1.441 -0.882 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 177.203 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . 0.252 61.6 t60 68.1 -120.66 0.19 Allowed 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 126.234 1.814 . . . . 0.0 110.537 179.417 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 31.4 mt 72.21 93.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.925 0 C-N-CA 126.82 2.048 . . . . 0.0 108.724 -176.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -79.01 -79.01 0.14 Allowed 'General case' 0 N--CA 1.438 -1.027 0 C-N-CA 124.464 1.106 . . . . 0.0 108.274 177.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 62.31 64.03 0.99 Allowed 'General case' 0 C--N 1.356 0.889 0 C-N-CA 125.486 1.514 . . . . 0.0 110.532 -178.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.369 1.424 0 CA-C-N 115.599 -0.728 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.0 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -93.58 177.84 5.89 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 126.631 1.973 . . . . 0.0 107.939 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -100.85 66.69 1.19 Allowed 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 105.616 -1.994 . . . . 0.0 105.616 173.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -89.61 -20.44 23.71 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 125.736 1.614 . . . . 0.0 108.992 -179.044 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.599 ' H ' HD13 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -77.63 160.15 75.35 Favored Pre-proline 0 N--CA 1.439 -0.999 0 C-N-CA 126.348 1.859 . . . . 0.0 107.564 174.741 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -85.22 59.01 5.17 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 122.534 2.156 . . . . 0.0 111.624 -171.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -98.46 -10.01 24.25 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 106.392 -1.707 . . . . 0.0 106.392 162.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -84.25 -24.87 29.78 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 125.905 1.682 . . . . 0.0 108.111 171.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.17 -33.58 17.16 Favored Glycine 0 C--N 1.354 1.582 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 175.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -91.79 17.83 8.51 Favored 'General case' 0 C--N 1.353 0.761 0 C-N-CA 125.041 1.337 . . . . 0.0 110.214 -178.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.6 tp -72.0 -27.56 27.62 Favored 'Isoleucine or valine' 0 C--N 1.359 0.986 0 C-N-CA 124.509 1.124 . . . . 0.0 111.674 -172.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -71.07 -36.2 72.19 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 124.68 1.192 . . . . 0.0 110.096 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 89.3 t -75.97 -31.8 22.51 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 C-N-CA 125.357 1.463 . . . . 0.0 110.255 -177.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -69.65 -31.1 69.0 Favored 'General case' 0 CA--C 1.51 -0.577 0 C-N-CA 125.082 1.353 . . . . 0.0 111.25 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.9 t -74.08 -36.43 44.31 Favored 'Isoleucine or valine' 0 C--N 1.355 0.838 0 C-N-CA 124.477 1.111 . . . . 0.0 109.166 177.346 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -65.88 -52.81 46.95 Favored 'General case' 0 C--N 1.357 0.934 0 C-N-CA 123.575 0.75 . . . . 0.0 111.39 -178.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.3 p30 -79.55 -5.68 55.42 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 113.313 0.856 . . . . 0.0 113.313 -173.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -75.42 -53.33 8.88 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 123.494 0.718 . . . . 0.0 109.382 175.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.78 -39.83 6.09 Favored Glycine 0 C--N 1.352 1.456 0 N-CA-C 111.988 -0.445 . . . . 0.0 111.988 -172.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -96.87 -42.03 8.15 Favored 'General case' 0 CA--C 1.5 -0.968 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -168.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 73.92 142.95 0.07 Allowed 'General case' 0 N--CA 1.441 -0.905 0 C-N-CA 127.227 2.211 . . . . 0.0 112.914 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.6 mm 60.92 66.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.011 0 C-N-CA 126.935 2.094 . . . . 0.0 108.642 -171.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.562 ' CD2' ' H ' ' A' ' 24' ' ' HIS . 67.8 t60 60.64 -134.94 0.69 Allowed 'General case' 0 C--N 1.359 1.01 0 C-N-CA 125.855 1.662 . . . . 0.0 109.727 -173.365 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.562 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 55.3 t-80 -92.84 112.92 25.04 Favored 'General case' 0 N--CA 1.437 -1.083 0 N-CA-C 105.337 -2.097 . . . . 0.0 105.337 174.46 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.366 1.311 0 CA-C-N 116.407 -0.36 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.016 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -83.03 132.71 35.12 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 126.644 1.978 . . . . 0.0 108.009 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -154.31 -82.11 0.08 Allowed 'General case' 0 N--CA 1.434 -1.252 0 N-CA-C 103.044 -2.947 . . . . 0.0 103.044 174.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -100.11 -36.09 9.45 Favored 'General case' 0 CA--C 1.503 -0.841 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 174.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.3 mp -80.22 134.71 55.18 Favored Pre-proline 0 N--CA 1.44 -0.934 0 C-N-CA 125.233 1.413 . . . . 0.0 108.751 -174.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -69.41 96.65 0.57 Allowed 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 123.447 2.764 . . . . 0.0 110.815 165.082 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -108.0 -60.7 1.68 Allowed 'General case' 0 CA--C 1.496 -1.115 0 N-CA-C 105.474 -2.047 . . . . 0.0 105.474 175.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -93.83 4.34 54.07 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 125.203 1.401 . . . . 0.0 109.169 175.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.97 -33.89 7.98 Favored Glycine 0 C--N 1.352 1.435 0 N-CA-C 108.009 -2.037 . . . . 0.0 108.009 168.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -90.48 -3.9 57.33 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 124.327 1.051 . . . . 0.0 111.004 -177.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.5 tp -78.15 -21.97 13.53 Favored 'Isoleucine or valine' 0 C--N 1.359 1.0 0 C-N-CA 123.561 0.745 . . . . 0.0 109.574 179.012 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -72.96 -33.83 66.11 Favored 'General case' 0 C--N 1.359 0.983 0 C-N-CA 126.127 1.771 . . . . 0.0 108.973 177.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.2 t -72.48 -22.45 20.52 Favored 'Isoleucine or valine' 0 C--N 1.356 0.86 0 C-N-CA 125.651 1.58 . . . . 0.0 110.574 -175.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -71.7 -40.34 69.57 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 124.14 0.976 . . . . 0.0 110.346 177.11 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.6 t -74.4 -33.28 33.03 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 C-N-CA 125.368 1.467 . . . . 0.0 109.19 -179.166 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -67.39 -45.85 75.01 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 125.076 1.351 . . . . 0.0 110.109 -179.524 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -76.94 -18.17 58.44 Favored 'General case' 0 C--N 1.355 0.818 0 C-N-CA 124.271 1.028 . . . . 0.0 111.272 -176.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -75.81 -42.23 50.49 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 123.796 0.838 . . . . 0.0 109.661 178.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.63 -20.02 60.75 Favored Glycine 0 C--N 1.354 1.569 0 C-N-CA 123.565 0.602 . . . . 0.0 111.697 -177.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -84.58 -69.53 0.64 Allowed 'General case' 0 CA--C 1.503 -0.851 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 -179.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -85.96 112.88 21.61 Favored 'General case' 0 N--CA 1.435 -1.22 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.275 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.1 mm -90.31 -61.84 1.81 Allowed 'Isoleucine or valine' 0 CA--C 1.497 -1.096 0 N-CA-C 106.062 -1.829 . . . . 0.0 106.062 -178.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -92.89 -176.55 4.24 Favored 'General case' 0 N--CA 1.432 -1.36 0 C-N-CA 126.2 1.8 . . . . 0.0 108.719 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -82.52 119.73 24.6 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.367 1.353 0 CA-C-N 116.302 -0.408 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -84.41 -72.72 0.46 Allowed 'General case' 0 C--N 1.355 0.811 0 N-CA-C 106.633 -1.618 . . . . 0.0 106.633 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -98.24 90.0 4.68 Favored 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 105.095 -2.187 . . . . 0.0 105.095 174.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -137.23 71.56 1.41 Allowed 'General case' 0 N--CA 1.438 -1.068 0 N-CA-C 104.441 -2.429 . . . . 0.0 104.441 -178.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.0 mt -125.5 159.17 61.74 Favored Pre-proline 0 N--CA 1.442 -0.857 0 N-CA-C 105.596 -2.002 . . . . 0.0 105.596 177.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -75.87 88.98 1.26 Allowed 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 123.231 2.621 . . . . 0.0 108.916 167.225 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -80.01 -27.0 39.63 Favored 'General case' 0 CA--C 1.5 -0.974 0 C-N-CA 124.144 0.977 . . . . 0.0 110.549 -173.174 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -78.27 -31.21 48.91 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 124.851 1.26 . . . . 0.0 108.372 174.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.19 -26.73 73.85 Favored Glycine 0 C--N 1.354 1.56 0 C-N-CA 123.977 0.799 . . . . 0.0 111.882 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -80.2 -8.98 59.69 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 124.023 0.929 . . . . 0.0 111.652 -179.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.1 mt -79.74 -42.53 22.6 Favored 'Isoleucine or valine' 0 C--N 1.358 0.953 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 179.034 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -70.71 -33.28 70.71 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 123.305 0.642 . . . . 0.0 110.846 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 52.1 t -68.25 -33.69 62.01 Favored 'Isoleucine or valine' 0 C--N 1.357 0.891 0 C-N-CA 125.099 1.36 . . . . 0.0 110.83 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -65.55 -38.1 88.6 Favored 'General case' 0 N--CA 1.441 -0.902 0 C-N-CA 125.58 1.552 . . . . 0.0 111.904 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.6 t -71.43 -38.44 68.66 Favored 'Isoleucine or valine' 0 C--N 1.355 0.831 0 C-N-CA 125.202 1.401 . . . . 0.0 109.758 -179.149 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -68.57 -42.48 78.25 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 123.883 0.873 . . . . 0.0 110.538 -178.105 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -72.01 -32.17 66.91 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 125.498 1.519 . . . . 0.0 110.729 -175.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -70.47 -35.25 73.19 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 124.69 1.196 . . . . 0.0 110.168 179.142 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.51 -51.59 8.18 Favored Glycine 0 C--N 1.355 1.593 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -149.17 -82.65 0.11 Allowed 'General case' 0 N--CA 1.439 -1.004 0 N-CA-C 106.274 -1.75 . . . . 0.0 106.274 -178.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.468 ' CG ' ' H ' ' A' ' 22' ' ' ILE . 26.9 t-80 -155.15 -176.1 5.77 Favored 'General case' 0 N--CA 1.433 -1.3 0 N-CA-C 105.889 -1.893 . . . . 0.0 105.889 -176.371 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.468 ' H ' ' CG ' ' A' ' 21' ' ' HIS . 2.0 mp -98.39 52.16 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.769 0 N-CA-C 105.997 -1.853 . . . . 0.0 105.997 -177.649 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 22.9 p80 -77.88 -34.25 51.65 Favored 'General case' 0 N--CA 1.439 -1.001 0 C-N-CA 125.407 1.483 . . . . 0.0 108.78 173.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -79.24 -58.78 3.05 Favored 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 124.311 1.044 . . . . 0.0 108.692 176.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.368 1.406 0 O-C-N 123.159 0.287 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 59.9 t80 . . . . . 0 N--CA 1.443 -0.823 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.17 -23.95 76.57 Favored Glycine 0 C--N 1.356 1.664 0 N-CA-C 111.66 -0.576 . . . . 0.0 111.66 178.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 59.5 m170 -81.44 -23.26 37.63 Favored 'General case' 0 C--N 1.357 0.902 0 C-N-CA 124.931 1.292 . . . . 0.0 109.841 176.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -78.05 -27.98 15.04 Favored 'Isoleucine or valine' 0 C--N 1.354 0.799 0 C-N-CA 124.831 1.253 . . . . 0.0 109.404 179.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -78.67 -9.47 59.41 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 123.923 0.889 . . . . 0.0 111.81 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 64.1 t -71.72 -31.1 40.54 Favored 'Isoleucine or valine' 0 C--N 1.357 0.906 0 C-N-CA 124.203 1.001 . . . . 0.0 109.486 175.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.74 -26.83 55.04 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 125.24 1.416 . . . . 0.0 109.469 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.0 t -76.19 -33.22 23.75 Favored 'Isoleucine or valine' 0 C--N 1.357 0.91 0 C-N-CA 124.964 1.306 . . . . 0.0 108.849 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -73.93 -33.9 64.11 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 123.851 0.86 . . . . 0.0 110.266 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -75.91 -27.56 57.7 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 124.654 1.181 . . . . 0.0 110.23 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -73.16 -42.92 62.26 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 124.128 0.971 . . . . 0.0 109.783 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.525 0 C-N-CA 123.511 0.577 . . . . 0.0 112.313 -177.404 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 52.9 t80 . . . . . 0 N--CA 1.44 -0.941 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.53 -24.82 69.4 Favored Glycine 0 C--N 1.356 1.668 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 178.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -85.45 -26.02 26.59 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 124.236 1.014 . . . . 0.0 109.589 176.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -74.73 -25.48 18.97 Favored 'Isoleucine or valine' 0 C--N 1.357 0.915 0 C-N-CA 124.499 1.119 . . . . 0.0 109.57 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -74.97 -17.9 60.47 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 125.632 1.573 . . . . 0.0 111.218 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 49.1 t -73.4 -28.6 25.71 Favored 'Isoleucine or valine' 0 C--N 1.357 0.912 0 C-N-CA 124.818 1.247 . . . . 0.0 110.048 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -78.91 -23.64 44.62 Favored 'General case' 0 CA--C 1.509 -0.61 0 C-N-CA 124.017 0.927 . . . . 0.0 109.88 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.0 t -76.21 -34.68 26.44 Favored 'Isoleucine or valine' 0 C--N 1.357 0.921 0 C-N-CA 124.655 1.182 . . . . 0.0 108.581 177.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -70.48 -30.57 67.4 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 124.391 1.077 . . . . 0.0 111.025 178.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -89.75 -12.79 38.32 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 123.22 0.608 . . . . 0.0 110.88 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -80.6 -60.08 2.45 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.443 0 CA-C-O 118.951 -0.916 . . . . 0.0 112.528 -173.926 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 . . . . . 0 CA--C 1.507 -0.708 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.47 -14.5 78.28 Favored Glycine 0 C--N 1.355 1.598 0 C-N-CA 124.34 0.971 . . . . 0.0 111.82 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -76.52 -28.83 56.52 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 124.0 0.92 . . . . 0.0 109.597 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 72.8 mt -73.93 -34.84 40.68 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 C-N-CA 125.225 1.41 . . . . 0.0 108.412 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -68.94 -40.31 79.06 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 123.55 0.74 . . . . 0.0 111.156 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.9 t -70.41 -29.24 38.1 Favored 'Isoleucine or valine' 0 C--N 1.357 0.896 0 C-N-CA 125.119 1.368 . . . . 0.0 110.778 -178.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -66.97 -36.07 81.38 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 125.213 1.405 . . . . 0.0 111.742 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 73.5 t -74.48 -35.87 40.01 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 C-N-CA 125.245 1.418 . . . . 0.0 109.457 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -74.1 -30.73 62.48 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 123.877 0.871 . . . . 0.0 110.798 -177.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -78.96 -31.23 44.96 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 125.395 1.478 . . . . 0.0 109.232 -177.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.9 t-80 -75.75 -38.0 58.8 Favored 'General case' 0 C--N 1.353 0.741 0 C-N-CA 124.204 1.002 . . . . 0.0 109.591 178.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.59 0 C-N-CA 124.505 1.05 . . . . 0.0 112.15 -177.195 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 . . . . . 0 CA--C 1.506 -0.729 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.87 -19.18 63.82 Favored Glycine 0 C--N 1.355 1.635 0 C-N-CA 124.305 0.955 . . . . 0.0 111.009 177.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -83.08 -26.38 31.13 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 117.785 0.793 . . . . 0.0 109.535 177.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.7 mt -78.92 -31.62 15.08 Favored 'Isoleucine or valine' 0 C--N 1.356 0.887 0 C-N-CA 125.065 1.346 . . . . 0.0 107.928 178.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -68.02 -40.85 82.87 Favored 'General case' 0 C--N 1.353 0.745 0 C-N-CA 124.568 1.147 . . . . 0.0 111.179 -179.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 84.8 t -81.11 -19.31 11.52 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 C-N-CA 124.762 1.225 . . . . 0.0 110.119 -177.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -73.64 -29.79 62.55 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 124.803 1.241 . . . . 0.0 109.757 177.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 75.7 t -75.15 -30.67 23.4 Favored 'Isoleucine or valine' 0 C--N 1.356 0.86 0 C-N-CA 124.462 1.105 . . . . 0.0 109.07 175.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -79.43 -12.92 59.88 Favored 'General case' 0 C--N 1.356 0.874 0 O-C-N 121.637 -0.664 . . . . 0.0 111.529 178.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -93.13 -49.65 5.89 Favored 'General case' 0 CA--C 1.504 -0.82 0 C-N-CA 123.442 0.697 . . . . 0.0 109.645 177.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -69.23 -43.93 73.05 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 124.339 1.056 . . . . 0.0 110.613 -176.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 1.328 0 CA-C-O 118.802 -0.999 . . . . 0.0 112.003 -177.286 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 . . . . . 0 N--CA 1.444 -0.739 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.31 -4.87 80.4 Favored Glycine 0 C--N 1.356 1.668 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 171.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 -90.51 -34.06 15.7 Favored 'General case' 0 C--N 1.358 0.959 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 172.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.8 mp -72.4 -26.14 24.03 Favored 'Isoleucine or valine' 0 C--N 1.359 0.98 0 C-N-CA 125.978 1.711 . . . . 0.0 108.431 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -60.16 -38.71 84.0 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 125.784 1.634 . . . . 0.0 111.596 175.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.2 t -76.02 -27.47 18.16 Favored 'Isoleucine or valine' 0 C--N 1.357 0.921 0 C-N-CA 125.369 1.468 . . . . 0.0 110.847 -175.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -71.46 -38.68 71.27 Favored 'General case' 0 CA--C 1.505 -0.752 0 C-N-CA 124.308 1.043 . . . . 0.0 110.614 -179.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 82.8 t -77.36 -28.91 16.48 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 C-N-CA 125.453 1.501 . . . . 0.0 108.957 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -69.02 -39.28 79.35 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 124.994 1.318 . . . . 0.0 110.712 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -83.79 -19.79 34.41 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 124.487 1.115 . . . . 0.0 110.281 -177.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -75.03 -48.57 23.4 Favored 'General case' 0 C--N 1.354 0.8 0 C-N-CA 123.92 0.888 . . . . 0.0 109.885 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.515 0 N-CA-C 111.417 -0.673 . . . . 0.0 111.417 -176.342 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 12.9 p90 . . . . . 0 N--CA 1.444 -0.743 0 CA-C-O 121.412 0.625 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.39 -28.58 47.79 Favored Glycine 0 C--N 1.347 1.153 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 174.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -83.62 -30.8 26.63 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 124.262 1.025 . . . . 0.0 110.72 -177.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.9 tt -78.15 -17.95 13.77 Favored 'Isoleucine or valine' 0 C--N 1.356 0.873 0 C-N-CA 124.396 1.079 . . . . 0.0 110.246 -175.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -76.17 -38.16 56.97 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 125.421 1.488 . . . . 0.0 109.369 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.3 t -72.64 -30.11 32.62 Favored 'Isoleucine or valine' 0 C--N 1.356 0.868 0 C-N-CA 125.083 1.353 . . . . 0.0 109.838 -178.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.35 -27.58 69.42 Favored 'General case' 0 N--CA 1.439 -1.001 0 C-N-CA 126.098 1.759 . . . . 0.0 113.446 178.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.9 t -70.06 -40.99 79.09 Favored 'Isoleucine or valine' 0 C--N 1.359 0.989 0 C-N-CA 124.698 1.199 . . . . 0.0 109.411 178.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -72.44 -35.11 68.22 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 124.457 1.103 . . . . 0.0 110.097 -177.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -71.94 -29.02 63.85 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 125.342 1.457 . . . . 0.0 110.638 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -74.3 -16.46 60.93 Favored 'General case' 0 C--N 1.356 0.882 0 C-N-CA 124.77 1.228 . . . . 0.0 111.169 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 1.687 0 C-N-CA 124.249 0.928 . . . . 0.0 111.044 176.632 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 30.3 t80 . . . . . 0 N--CA 1.442 -0.872 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.26 -13.86 75.71 Favored Glycine 0 C--N 1.356 1.656 0 C-N-CA 124.437 1.017 . . . . 0.0 111.205 176.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -88.54 -27.18 21.58 Favored 'General case' 0 C--N 1.357 0.917 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 174.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -76.2 -24.11 16.15 Favored 'Isoleucine or valine' 0 C--N 1.357 0.901 0 C-N-CA 125.436 1.494 . . . . 0.0 108.9 176.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -72.76 -21.73 60.96 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 125.398 1.479 . . . . 0.0 111.03 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.8 t -72.92 -31.35 35.55 Favored 'Isoleucine or valine' 0 C--N 1.357 0.919 0 C-N-CA 124.669 1.188 . . . . 0.0 110.11 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.03 -31.61 64.55 Favored 'General case' 0 CA--C 1.511 -0.535 0 C-N-CA 124.571 1.148 . . . . 0.0 110.02 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 68.1 t -75.12 -34.52 31.86 Favored 'Isoleucine or valine' 0 C--N 1.356 0.854 0 C-N-CA 124.878 1.271 . . . . 0.0 108.991 178.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -69.85 -33.76 72.7 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 125.061 1.344 . . . . 0.0 110.399 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -81.04 -26.86 36.04 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 124.475 1.11 . . . . 0.0 110.345 -178.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -70.05 -45.72 66.51 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 124.574 1.15 . . . . 0.0 110.575 -176.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.502 0 N-CA-C 109.75 -1.34 . . . . 0.0 109.75 177.565 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.9 t80 . . . . . 0 N--CA 1.442 -0.827 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.6 -31.49 45.09 Favored Glycine 0 C--N 1.355 1.594 0 N-CA-C 109.594 -1.402 . . . . 0.0 109.594 171.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 -84.59 -14.23 49.37 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 124.238 1.015 . . . . 0.0 111.218 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.3 tp -78.9 -22.33 12.82 Favored 'Isoleucine or valine' 0 C--N 1.36 1.063 0 C-N-CA 123.106 0.562 . . . . 0.0 109.966 -177.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -77.43 -31.62 54.07 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 125.286 1.434 . . . . 0.0 109.512 177.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 45.7 t -76.11 -23.55 16.04 Favored 'Isoleucine or valine' 0 C--N 1.357 0.906 0 C-N-CA 125.238 1.415 . . . . 0.0 109.091 178.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -75.73 -24.16 56.11 Favored 'General case' 0 N--CA 1.443 -0.82 0 C-N-CA 124.911 1.285 . . . . 0.0 111.584 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.2 t -73.56 -38.76 52.92 Favored 'Isoleucine or valine' 0 C--N 1.358 0.953 0 C-N-CA 124.337 1.055 . . . . 0.0 108.425 175.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -73.54 -23.82 60.04 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 124.706 1.202 . . . . 0.0 110.317 178.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -75.07 -32.21 61.44 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 125.131 1.373 . . . . 0.0 109.413 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 52.5 m170 -80.78 -10.74 59.7 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 124.47 1.108 . . . . 0.0 110.841 177.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.592 0 N-CA-C 110.253 -1.139 . . . . 0.0 110.253 179.566 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 33.1 t80 . . . . . 0 N--CA 1.443 -0.787 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.85 -21.86 73.29 Favored Glycine 0 C--N 1.355 1.599 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 175.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.9 m80 -85.73 -27.75 25.06 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 124.232 1.013 . . . . 0.0 109.329 177.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.2 mt -82.22 -26.93 9.07 Favored 'Isoleucine or valine' 0 C--N 1.355 0.824 0 C-N-CA 125.397 1.479 . . . . 0.0 107.908 -176.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -70.84 -40.15 72.56 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 125.107 1.363 . . . . 0.0 110.503 178.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.2 t -78.76 -19.14 13.15 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 C-N-CA 124.835 1.254 . . . . 0.0 109.901 -177.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.1 -34.37 77.88 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 125.36 1.464 . . . . 0.0 112.119 176.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 43.7 t -73.97 -34.01 38.06 Favored 'Isoleucine or valine' 0 C--N 1.358 0.943 0 C-N-CA 125.264 1.426 . . . . 0.0 109.263 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -69.29 -37.14 77.68 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 124.661 1.184 . . . . 0.0 110.464 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -77.97 -23.06 48.56 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 124.033 0.933 . . . . 0.0 110.76 -178.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -73.28 -45.56 54.9 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 123.86 0.864 . . . . 0.0 109.187 177.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.604 0 C-N-CA 123.754 0.692 . . . . 0.0 112.058 -179.457 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 . . . . . 0 N--CA 1.444 -0.745 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.36 -30.95 11.13 Favored Glycine 0 C--N 1.355 1.598 0 N-CA-C 108.909 -1.676 . . . . 0.0 108.909 172.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -90.53 5.53 47.35 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 124.557 1.143 . . . . 0.0 110.659 -177.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.3 tp -70.19 -29.98 41.73 Favored 'Isoleucine or valine' 0 C--N 1.357 0.931 0 C-N-CA 124.598 1.159 . . . . 0.0 111.435 -172.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -75.66 -35.13 60.49 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 125.436 1.495 . . . . 0.0 108.987 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.1 t -73.87 -21.96 18.33 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 C-N-CA 125.432 1.493 . . . . 0.0 111.04 -171.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -69.62 -40.91 76.31 Favored 'General case' 0 CA--C 1.507 -0.69 0 C-N-CA 123.937 0.895 . . . . 0.0 110.452 176.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.6 t -75.38 -36.56 36.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 C-N-CA 125.22 1.408 . . . . 0.0 109.132 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -68.38 -45.6 72.29 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 125.427 1.491 . . . . 0.0 110.568 -176.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -77.95 -18.49 55.97 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 124.644 1.177 . . . . 0.0 110.723 -174.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -75.24 -45.25 41.4 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 123.626 0.77 . . . . 0.0 109.902 176.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 1.572 0 C-N-CA 123.823 0.725 . . . . 0.0 111.939 -176.562 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 . . . . . 0 N--CA 1.442 -0.852 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.54 -41.18 5.49 Favored Glycine 0 C--N 1.354 1.567 0 N-CA-C 109.372 -1.491 . . . . 0.0 109.372 177.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -84.34 -16.27 43.53 Favored 'General case' 0 C--N 1.355 0.847 0 C-N-CA 123.49 0.716 . . . . 0.0 111.56 -173.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.0 tt -73.19 -23.15 19.78 Favored 'Isoleucine or valine' 0 C--N 1.357 0.901 0 O-C-N 121.525 -0.734 . . . . 0.0 110.316 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -75.18 -30.73 60.75 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 125.417 1.487 . . . . 0.0 110.21 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.5 t -73.43 -31.72 34.32 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 C-N-CA 125.101 1.36 . . . . 0.0 109.364 179.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -78.24 -0.44 28.62 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 125.364 1.466 . . . . 0.0 112.43 -178.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.7 t -83.39 -43.79 18.32 Favored 'Isoleucine or valine' 0 C--N 1.354 0.783 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 172.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -77.36 -30.71 53.96 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 124.503 1.121 . . . . 0.0 110.426 -177.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -78.55 -42.33 29.62 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 124.541 1.137 . . . . 0.0 110.155 -174.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -86.18 -12.57 49.43 Favored 'General case' 0 C--N 1.356 0.884 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -176.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 1.561 0 N-CA-C 110.136 -1.186 . . . . 0.0 110.136 175.166 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.4 t80 . . . . . 0 N--CA 1.442 -0.835 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.85 -2.17 90.64 Favored Glycine 0 C--N 1.357 1.741 0 C-N-CA 124.625 1.107 . . . . 0.0 111.447 174.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -86.65 -39.36 16.17 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 170.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.8 mp -68.91 -26.96 33.8 Favored 'Isoleucine or valine' 0 C--N 1.357 0.929 0 C-N-CA 126.181 1.792 . . . . 0.0 108.869 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -58.25 -41.22 83.74 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 125.873 1.669 . . . . 0.0 111.3 174.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.3 t -70.51 -29.53 38.96 Favored 'Isoleucine or valine' 0 C--N 1.357 0.928 0 C-N-CA 125.448 1.499 . . . . 0.0 111.519 -175.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.73 -38.63 70.44 Favored 'General case' 0 CA--C 1.51 -0.579 0 C-N-CA 123.913 0.885 . . . . 0.0 109.799 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.8 t -74.87 -30.91 24.78 Favored 'Isoleucine or valine' 0 C--N 1.355 0.812 0 C-N-CA 125.096 1.358 . . . . 0.0 109.607 -179.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -68.38 -41.75 80.12 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 125.897 1.679 . . . . 0.0 110.079 -178.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -77.69 -31.68 52.58 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 125.044 1.337 . . . . 0.0 110.42 -177.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -72.09 -35.45 69.22 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 124.902 1.281 . . . . 0.0 110.444 -178.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 1.646 0 C-N-CA 124.042 0.829 . . . . 0.0 111.726 179.546 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 . . . . . 0 N--CA 1.447 -0.603 0 CA-C-O 120.43 0.157 . . . . 0.0 110.7 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.67 -34.97 7.52 Favored Glycine 0 C--N 1.353 1.489 0 N-CA-C 108.39 -1.884 . . . . 0.0 108.39 172.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -87.79 -1.33 57.9 Favored 'General case' 0 C--N 1.356 0.848 0 C-N-CA 124.627 1.171 . . . . 0.0 111.215 -177.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.7 tp -79.87 -23.19 11.89 Favored 'Isoleucine or valine' 0 C--N 1.358 0.966 0 C-N-CA 123.688 0.795 . . . . 0.0 108.894 178.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -78.56 -35.42 46.03 Favored 'General case' 0 N--CA 1.439 -0.985 0 C-N-CA 125.482 1.513 . . . . 0.0 108.867 178.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.0 t -71.06 -30.79 42.62 Favored 'Isoleucine or valine' 0 C--N 1.357 0.898 0 C-N-CA 125.728 1.611 . . . . 0.0 110.007 -178.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -65.67 -36.61 84.15 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 126.13 1.772 . . . . 0.0 111.812 178.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 89.3 t -75.08 -32.31 26.48 Favored 'Isoleucine or valine' 0 C--N 1.357 0.925 0 C-N-CA 125.23 1.412 . . . . 0.0 109.507 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -73.88 -30.61 62.73 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 123.599 0.76 . . . . 0.0 110.608 -179.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -80.27 -25.04 39.66 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 124.612 1.165 . . . . 0.0 110.092 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -78.98 -36.06 41.96 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 124.374 1.07 . . . . 0.0 109.489 179.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 1.654 0 C-N-CA 124.308 0.956 . . . . 0.0 111.262 -179.599 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 56.7 t80 . . . . . 0 N--CA 1.442 -0.853 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.78 -27.91 68.12 Favored Glycine 0 C--N 1.356 1.657 0 C-N-CA 124.033 0.825 . . . . 0.0 111.063 178.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -80.07 -39.74 29.1 Favored 'General case' 0 CA--C 1.503 -0.833 0 C-N-CA 123.726 0.81 . . . . 0.0 109.18 174.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.18 -27.84 36.55 Favored 'Isoleucine or valine' 0 C--N 1.357 0.928 0 C-N-CA 124.88 1.272 . . . . 0.0 111.755 -171.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -73.45 -42.34 62.09 Favored 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 124.685 1.194 . . . . 0.0 110.065 -177.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 63.8 t -77.12 -25.04 15.24 Favored 'Isoleucine or valine' 0 C--N 1.355 0.817 0 C-N-CA 125.484 1.513 . . . . 0.0 110.201 -177.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -73.05 -34.06 66.07 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 126.028 1.731 . . . . 0.0 110.041 -176.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.9 t -74.46 -34.56 36.28 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 C-N-CA 124.614 1.166 . . . . 0.0 109.396 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.9 m-30 -72.4 -33.24 67.02 Favored 'General case' 0 C--N 1.356 0.875 0 C-N-CA 123.722 0.809 . . . . 0.0 110.875 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.5 t-20 -81.31 -24.45 37.17 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 124.996 1.319 . . . . 0.0 109.623 -177.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -80.06 -26.73 39.56 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 124.087 0.955 . . . . 0.0 109.968 177.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 1.645 0 N-CA-C 110.494 -1.042 . . . . 0.0 110.494 177.813 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 . . . . . 0 N--CA 1.443 -0.792 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.94 -35.5 7.14 Favored Glycine 0 C--N 1.355 1.59 0 N-CA-C 108.613 -1.795 . . . . 0.0 108.613 173.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -91.11 9.83 29.36 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 124.734 1.214 . . . . 0.0 110.357 -177.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.1 tp -67.59 -33.19 60.55 Favored 'Isoleucine or valine' 0 C--N 1.357 0.908 0 C-N-CA 124.514 1.126 . . . . 0.0 111.857 -173.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -80.15 -27.04 39.11 Favored 'General case' 0 C--N 1.355 0.847 0 C-N-CA 124.489 1.116 . . . . 0.0 110.057 -177.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.8 t -72.99 -28.66 27.01 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 C-N-CA 124.709 1.204 . . . . 0.0 110.126 -176.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -70.09 -41.1 74.51 Favored 'General case' 0 CA--C 1.508 -0.649 0 C-N-CA 125.322 1.449 . . . . 0.0 110.238 178.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 89.9 t -71.15 -35.33 58.05 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 C-N-CA 125.052 1.341 . . . . 0.0 109.565 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -72.35 -26.91 62.1 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 125.42 1.488 . . . . 0.0 110.595 -178.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -81.75 -42.11 20.26 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 124.639 1.175 . . . . 0.0 109.497 -178.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 59.2 m170 -72.68 -38.19 67.67 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 124.821 1.248 . . . . 0.0 110.759 -174.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.52 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 177.398 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 43.3 t80 . . . . . 0 N--CA 1.442 -0.864 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.23 -12.18 83.49 Favored Glycine 0 C--N 1.357 1.706 0 C-N-CA 124.08 0.848 . . . . 0.0 111.638 177.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -88.83 -31.75 18.16 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 124.355 1.062 . . . . 0.0 108.738 173.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.6 mp -73.91 -26.18 21.07 Favored 'Isoleucine or valine' 0 C--N 1.357 0.902 0 C-N-CA 125.331 1.452 . . . . 0.0 108.646 178.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -66.68 -30.36 70.59 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 125.324 1.45 . . . . 0.0 111.346 178.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.0 t -71.97 -31.77 41.7 Favored 'Isoleucine or valine' 0 C--N 1.358 0.937 0 C-N-CA 124.83 1.252 . . . . 0.0 110.372 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -73.95 -34.0 64.12 Favored 'General case' 0 CA--C 1.508 -0.665 0 C-N-CA 125.154 1.382 . . . . 0.0 111.205 -176.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.4 t -73.63 -36.77 48.05 Favored 'Isoleucine or valine' 0 C--N 1.357 0.908 0 C-N-CA 125.007 1.323 . . . . 0.0 108.714 179.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -68.88 -38.43 79.66 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 124.512 1.125 . . . . 0.0 110.031 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -73.7 -21.79 60.13 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 124.911 1.284 . . . . 0.0 111.067 -175.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -70.4 -46.93 63.01 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 123.732 0.813 . . . . 0.0 110.512 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.487 0 CA-C-O 119.754 -0.47 . . . . 0.0 112.756 -176.156 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 12.7 p90 . . . . . 0 N--CA 1.443 -0.825 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.91 -7.98 80.06 Favored Glycine 0 C--N 1.353 1.522 0 C-N-CA 124.471 1.034 . . . . 0.0 111.593 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -87.54 -39.59 15.0 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 174.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.4 mt -74.29 -24.59 19.06 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 C-N-CA 125.433 1.493 . . . . 0.0 108.654 -177.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -62.16 -33.0 73.67 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 125.572 1.549 . . . . 0.0 111.754 175.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.4 t -74.7 -29.9 23.93 Favored 'Isoleucine or valine' 0 C--N 1.358 0.956 0 C-N-CA 124.917 1.287 . . . . 0.0 110.666 -178.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.08 -32.97 61.61 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 124.304 1.042 . . . . 0.0 110.124 -179.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 69.8 t -74.16 -35.44 40.85 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 C-N-CA 124.685 1.194 . . . . 0.0 108.823 178.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -71.2 -33.65 70.13 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 124.647 1.179 . . . . 0.0 110.32 179.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -74.38 -31.19 62.28 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 124.84 1.256 . . . . 0.0 109.942 -177.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -75.68 -39.89 56.76 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 124.653 1.181 . . . . 0.0 109.802 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.636 0 C-N-CA 124.2 0.905 . . . . 0.0 112.009 -176.975 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 35.0 t80 . . . . . 0 N--CA 1.44 -0.94 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.17 -33.58 17.16 Favored Glycine 0 C--N 1.354 1.582 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 175.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -91.79 17.83 8.51 Favored 'General case' 0 C--N 1.353 0.761 0 C-N-CA 125.041 1.337 . . . . 0.0 110.214 -178.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.6 tp -72.0 -27.56 27.62 Favored 'Isoleucine or valine' 0 C--N 1.359 0.986 0 C-N-CA 124.509 1.124 . . . . 0.0 111.674 -172.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -71.07 -36.2 72.19 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 124.68 1.192 . . . . 0.0 110.096 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 89.3 t -75.97 -31.8 22.51 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 C-N-CA 125.357 1.463 . . . . 0.0 110.255 -177.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -69.65 -31.1 69.0 Favored 'General case' 0 CA--C 1.51 -0.577 0 C-N-CA 125.082 1.353 . . . . 0.0 111.25 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.9 t -74.08 -36.43 44.31 Favored 'Isoleucine or valine' 0 C--N 1.355 0.838 0 C-N-CA 124.477 1.111 . . . . 0.0 109.166 177.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -65.88 -52.81 46.95 Favored 'General case' 0 C--N 1.357 0.934 0 C-N-CA 123.575 0.75 . . . . 0.0 111.39 -178.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.3 p30 -79.55 -5.68 55.42 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 113.313 0.856 . . . . 0.0 113.313 -173.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -75.42 -53.33 8.88 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 123.494 0.718 . . . . 0.0 109.382 175.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.456 0 N-CA-C 111.988 -0.445 . . . . 0.0 111.988 -172.203 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 . . . . . 0 N--CA 1.446 -0.67 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.97 -33.89 7.98 Favored Glycine 0 C--N 1.352 1.435 0 N-CA-C 108.009 -2.037 . . . . 0.0 108.009 168.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -90.48 -3.9 57.33 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 124.327 1.051 . . . . 0.0 111.004 -177.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.5 tp -78.15 -21.97 13.53 Favored 'Isoleucine or valine' 0 C--N 1.359 1.0 0 C-N-CA 123.561 0.745 . . . . 0.0 109.574 179.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -72.96 -33.83 66.11 Favored 'General case' 0 C--N 1.359 0.983 0 C-N-CA 126.127 1.771 . . . . 0.0 108.973 177.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.2 t -72.48 -22.45 20.52 Favored 'Isoleucine or valine' 0 C--N 1.356 0.86 0 C-N-CA 125.651 1.58 . . . . 0.0 110.574 -175.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -71.7 -40.34 69.57 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 124.14 0.976 . . . . 0.0 110.346 177.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.6 t -74.4 -33.28 33.03 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 C-N-CA 125.368 1.467 . . . . 0.0 109.19 -179.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -67.39 -45.85 75.01 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 125.076 1.351 . . . . 0.0 110.109 -179.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -76.94 -18.17 58.44 Favored 'General case' 0 C--N 1.355 0.818 0 C-N-CA 124.271 1.028 . . . . 0.0 111.272 -176.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -75.81 -42.23 50.49 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 123.796 0.838 . . . . 0.0 109.661 178.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 1.569 0 C-N-CA 123.565 0.602 . . . . 0.0 111.697 -177.373 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 65.4 t80 . . . . . 0 N--CA 1.442 -0.831 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.19 -26.73 73.85 Favored Glycine 0 C--N 1.354 1.56 0 C-N-CA 123.977 0.799 . . . . 0.0 111.882 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -80.2 -8.98 59.69 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 124.023 0.929 . . . . 0.0 111.652 -179.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.1 mt -79.74 -42.53 22.6 Favored 'Isoleucine or valine' 0 C--N 1.358 0.953 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 179.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -70.71 -33.28 70.71 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 123.305 0.642 . . . . 0.0 110.846 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 52.1 t -68.25 -33.69 62.01 Favored 'Isoleucine or valine' 0 C--N 1.357 0.891 0 C-N-CA 125.099 1.36 . . . . 0.0 110.83 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -65.55 -38.1 88.6 Favored 'General case' 0 N--CA 1.441 -0.902 0 C-N-CA 125.58 1.552 . . . . 0.0 111.904 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.6 t -71.43 -38.44 68.66 Favored 'Isoleucine or valine' 0 C--N 1.355 0.831 0 C-N-CA 125.202 1.401 . . . . 0.0 109.758 -179.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -68.57 -42.48 78.25 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 123.883 0.873 . . . . 0.0 110.538 -178.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -72.01 -32.17 66.91 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 125.498 1.519 . . . . 0.0 110.729 -175.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -70.47 -35.25 73.19 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 124.69 1.196 . . . . 0.0 110.168 179.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.593 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.932 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.042 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -86.2 104.11 15.45 Favored 'General case' 0 N--CA 1.44 -0.935 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -149.9 85.74 1.42 Allowed 'General case' 0 N--CA 1.434 -1.227 0 N-CA-C 103.643 -2.725 . . . . 0.0 103.643 172.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.7 t70 88.22 -58.37 0.03 OUTLIER 'General case' 0 C--N 1.36 1.03 0 C-N-CA 128.168 2.587 . . . . 0.0 108.666 -178.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -95.8 120.96 62.35 Favored Pre-proline 0 N--CA 1.439 -0.984 0 N-CA-C 104.55 -2.389 . . . . 0.0 104.55 179.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -77.66 84.02 2.06 Favored 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.269 2.646 . . . . 0.0 110.577 177.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -81.66 -23.85 36.64 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 123.822 0.849 . . . . 0.0 108.843 176.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -76.1 -33.09 59.49 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 124.505 1.122 . . . . 0.0 108.466 173.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.17 -23.95 76.57 Favored Glycine 0 C--N 1.356 1.664 0 N-CA-C 111.66 -0.576 . . . . 0.0 111.66 178.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 59.5 m170 -81.44 -23.26 37.63 Favored 'General case' 0 C--N 1.357 0.902 0 C-N-CA 124.931 1.292 . . . . 0.0 109.841 176.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -78.05 -27.98 15.04 Favored 'Isoleucine or valine' 0 C--N 1.354 0.799 0 C-N-CA 124.831 1.253 . . . . 0.0 109.404 179.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -78.67 -9.47 59.41 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 123.923 0.889 . . . . 0.0 111.81 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 64.1 t -71.72 -31.1 40.54 Favored 'Isoleucine or valine' 0 C--N 1.357 0.906 0 C-N-CA 124.203 1.001 . . . . 0.0 109.486 175.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.74 -26.83 55.04 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 125.24 1.416 . . . . 0.0 109.469 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.0 t -76.19 -33.22 23.75 Favored 'Isoleucine or valine' 0 C--N 1.357 0.91 0 C-N-CA 124.964 1.306 . . . . 0.0 108.849 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -73.93 -33.9 64.11 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 123.851 0.86 . . . . 0.0 110.266 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -75.91 -27.56 57.7 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 124.654 1.181 . . . . 0.0 110.23 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -73.16 -42.92 62.26 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 124.128 0.971 . . . . 0.0 109.783 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.82 -11.15 85.7 Favored Glycine 0 C--N 1.353 1.525 0 C-N-CA 123.511 0.577 . . . . 0.0 112.313 -177.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -88.56 -66.68 0.89 Allowed 'General case' 0 N--CA 1.439 -0.976 0 C-N-CA 124.252 1.021 . . . . 0.0 108.769 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 61.3 t-80 -92.79 -60.91 1.7 Allowed 'General case' 0 N--CA 1.437 -1.088 0 C-N-CA 123.702 0.801 . . . . 0.0 111.024 -165.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.6 pt -101.58 44.58 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.508 -0.641 0 C-N-CA 124.452 1.101 . . . . 0.0 109.767 -168.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 48.8 p-80 -76.56 130.56 38.06 Favored 'General case' 0 N--CA 1.441 -0.902 0 C-N-CA 123.713 0.805 . . . . 0.0 109.034 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -105.74 119.52 39.36 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 -175.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.368 1.379 0 CA-C-N 116.241 -0.436 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.067 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 73.15 -92.26 0.02 OUTLIER 'General case' 0 C--N 1.356 0.87 0 C-N-CA 126.417 1.887 . . . . 0.0 110.586 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -78.71 -18.92 53.54 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 124.511 1.125 . . . . 0.0 110.338 -178.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -74.44 -31.0 62.12 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 124.229 1.012 . . . . 0.0 109.692 174.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 71.9 mt -87.83 172.77 7.32 Favored Pre-proline 0 N--CA 1.443 -0.821 0 C-N-CA 125.414 1.486 . . . . 0.0 107.38 174.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -71.9 83.24 1.16 Allowed 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 122.601 2.201 . . . . 0.0 112.973 171.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -105.53 -60.94 1.56 Allowed 'General case' 0 CA--C 1.494 -1.189 0 N-CA-C 103.966 -2.605 . . . . 0.0 103.966 167.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -83.08 -25.59 31.89 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 125.948 1.699 . . . . 0.0 108.395 177.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.53 -24.82 69.4 Favored Glycine 0 C--N 1.356 1.668 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 178.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -85.45 -26.02 26.59 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 124.236 1.014 . . . . 0.0 109.589 176.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -74.73 -25.48 18.97 Favored 'Isoleucine or valine' 0 C--N 1.357 0.915 0 C-N-CA 124.499 1.119 . . . . 0.0 109.57 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -74.97 -17.9 60.47 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 125.632 1.573 . . . . 0.0 111.218 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 49.1 t -73.4 -28.6 25.71 Favored 'Isoleucine or valine' 0 C--N 1.357 0.912 0 C-N-CA 124.818 1.247 . . . . 0.0 110.048 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -78.91 -23.64 44.62 Favored 'General case' 0 CA--C 1.509 -0.61 0 C-N-CA 124.017 0.927 . . . . 0.0 109.88 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.0 t -76.21 -34.68 26.44 Favored 'Isoleucine or valine' 0 C--N 1.357 0.921 0 C-N-CA 124.655 1.182 . . . . 0.0 108.581 177.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -70.48 -30.57 67.4 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 124.391 1.077 . . . . 0.0 111.025 178.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -89.75 -12.79 38.32 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 123.22 0.608 . . . . 0.0 110.88 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -80.6 -60.08 2.45 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.31 -3.31 69.67 Favored Glycine 0 C--N 1.352 1.443 0 CA-C-O 118.951 -0.916 . . . . 0.0 112.528 -173.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 63.32 42.8 6.6 Favored 'General case' 0 C--N 1.361 1.098 0 C-N-CA 124.975 1.31 . . . . 0.0 111.178 -175.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -89.48 147.01 24.24 Favored 'General case' 0 N--CA 1.434 -1.247 0 N-CA-C 106.221 -1.77 . . . . 0.0 106.221 173.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.1 mm 57.3 67.91 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.811 0 C-N-CA 126.148 1.779 . . . . 0.0 109.085 -171.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -156.08 159.8 39.41 Favored 'General case' 0 N--CA 1.433 -1.308 0 N-CA-C 106.519 -1.66 . . . . 0.0 106.519 -170.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -84.44 115.54 22.6 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -178.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.367 1.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.489 ' H2 ' HD21 ' A' ' 5' ' ' LEU . . . . . . . . 0 C--O 1.229 0.009 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 66.41 44.26 2.45 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 125.938 1.695 . . . . 0.0 111.523 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -112.69 12.65 19.74 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 124.279 1.032 . . . . 0.0 108.433 178.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 64.37 45.59 3.75 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 126.119 1.768 . . . . 0.0 109.476 -172.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.489 HD21 ' H2 ' ' A' ' 1' ' ' ACE . 0.3 OUTLIER -97.85 159.11 31.71 Favored Pre-proline 0 N--CA 1.441 -0.888 0 C-N-CA 125.319 1.447 . . . . 0.0 108.509 -173.582 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -86.04 14.62 2.41 Favored 'Trans proline' 0 CA--C 1.508 -0.816 0 C-N-CA 123.273 2.649 . . . . 0.0 110.853 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -93.73 6.04 49.66 Favored 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 124.489 1.116 . . . . 0.0 110.03 -177.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -68.97 -41.29 78.13 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 124.322 1.049 . . . . 0.0 108.925 168.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.47 -14.5 78.28 Favored Glycine 0 C--N 1.355 1.598 0 C-N-CA 124.34 0.971 . . . . 0.0 111.82 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -76.52 -28.83 56.52 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 124.0 0.92 . . . . 0.0 109.597 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 72.8 mt -73.93 -34.84 40.68 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 C-N-CA 125.225 1.41 . . . . 0.0 108.412 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -68.94 -40.31 79.06 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 123.55 0.74 . . . . 0.0 111.156 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.9 t -70.41 -29.24 38.1 Favored 'Isoleucine or valine' 0 C--N 1.357 0.896 0 C-N-CA 125.119 1.368 . . . . 0.0 110.778 -178.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -66.97 -36.07 81.38 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 125.213 1.405 . . . . 0.0 111.742 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 73.5 t -74.48 -35.87 40.01 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 C-N-CA 125.245 1.418 . . . . 0.0 109.457 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -74.1 -30.73 62.48 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 123.877 0.871 . . . . 0.0 110.798 -177.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -78.96 -31.23 44.96 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 125.395 1.478 . . . . 0.0 109.232 -177.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.9 t-80 -75.75 -38.0 58.8 Favored 'General case' 0 C--N 1.353 0.741 0 C-N-CA 124.204 1.002 . . . . 0.0 109.591 178.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.99 -13.56 83.24 Favored Glycine 0 C--N 1.355 1.59 0 C-N-CA 124.505 1.05 . . . . 0.0 112.15 -177.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -95.24 -85.93 0.31 Allowed 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 105.206 -2.146 . . . . 0.0 105.206 173.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.511 ' CG ' ' H ' ' A' ' 22' ' ' ILE . 10.1 t-160 58.17 -126.6 1.55 Allowed 'General case' 0 C--N 1.359 1.011 0 C-N-CA 126.804 2.042 . . . . 0.0 111.15 174.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.511 ' H ' ' CG ' ' A' ' 21' ' ' HIS . 74.7 mt -101.34 -75.02 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.495 -1.135 0 N-CA-C 102.916 -2.994 . . . . 0.0 102.916 173.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -93.17 149.06 21.49 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 126.163 1.785 . . . . 0.0 106.42 170.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 13.3 p80 -72.11 126.36 29.58 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 123.745 0.818 . . . . 0.0 110.194 -175.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.368 1.394 0 CA-C-N 115.774 -0.648 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -87.84 -72.08 0.54 Allowed 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 106.942 -1.503 . . . . 0.0 106.942 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 76.83 118.18 0.06 Allowed 'General case' 0 C--N 1.358 0.938 0 C-N-CA 126.861 2.065 . . . . 0.0 109.519 -176.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -94.97 11.96 30.05 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 123.858 0.863 . . . . 0.0 110.685 -168.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -80.44 150.96 71.4 Favored Pre-proline 0 C--N 1.356 0.862 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 177.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.79 87.88 1.43 Allowed 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 123.598 2.865 . . . . 0.0 109.131 171.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -78.31 -27.99 47.35 Favored 'General case' 0 CA--C 1.498 -1.045 0 C-N-CA 124.203 1.001 . . . . 0.0 110.956 -172.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -81.21 -23.24 38.24 Favored 'General case' 0 CA--C 1.506 -0.729 0 C-N-CA 124.942 1.297 . . . . 0.0 109.436 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.87 -19.18 63.82 Favored Glycine 0 C--N 1.355 1.635 0 C-N-CA 124.305 0.955 . . . . 0.0 111.009 177.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -83.08 -26.38 31.13 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 117.785 0.793 . . . . 0.0 109.535 177.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.7 mt -78.92 -31.62 15.08 Favored 'Isoleucine or valine' 0 C--N 1.356 0.887 0 C-N-CA 125.065 1.346 . . . . 0.0 107.928 178.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -68.02 -40.85 82.87 Favored 'General case' 0 C--N 1.353 0.745 0 C-N-CA 124.568 1.147 . . . . 0.0 111.179 -179.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 84.8 t -81.11 -19.31 11.52 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 C-N-CA 124.762 1.225 . . . . 0.0 110.119 -177.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -73.64 -29.79 62.55 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 124.803 1.241 . . . . 0.0 109.757 177.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 75.7 t -75.15 -30.67 23.4 Favored 'Isoleucine or valine' 0 C--N 1.356 0.86 0 C-N-CA 124.462 1.105 . . . . 0.0 109.07 175.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -79.43 -12.92 59.88 Favored 'General case' 0 C--N 1.356 0.874 0 O-C-N 121.637 -0.664 . . . . 0.0 111.529 178.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -93.13 -49.65 5.89 Favored 'General case' 0 CA--C 1.504 -0.82 0 C-N-CA 123.442 0.697 . . . . 0.0 109.645 177.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -69.23 -43.93 73.05 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 124.339 1.056 . . . . 0.0 110.613 -176.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.24 -11.46 62.85 Favored Glycine 0 C--N 1.35 1.328 0 CA-C-O 118.802 -0.999 . . . . 0.0 112.003 -177.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 62.53 51.04 3.36 Favored 'General case' 0 C--N 1.364 1.226 0 C-N-CA 124.591 1.156 . . . . 0.0 111.077 -178.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.515 ' CG ' ' H ' ' A' ' 22' ' ' ILE . 21.9 t-160 57.6 -125.68 1.69 Allowed 'General case' 0 C--N 1.358 0.948 0 C-N-CA 126.532 1.933 . . . . 0.0 111.012 176.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.515 ' H ' ' CG ' ' A' ' 21' ' ' HIS . 48.8 pt -98.67 -35.29 4.91 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.869 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 169.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -163.76 132.13 3.68 Favored 'General case' 0 N--CA 1.433 -1.317 0 N-CA-C 104.903 -2.258 . . . . 0.0 104.903 172.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 73.0 t60 52.63 63.3 2.29 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.829 1.652 . . . . 0.0 113.389 174.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.367 1.341 0 CA-C-N 116.028 -0.533 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.074 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -100.21 139.9 35.22 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 106.269 -1.752 . . . . 0.0 106.269 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 67.75 88.38 0.11 Allowed 'General case' 0 C--N 1.357 0.925 0 C-N-CA 126.039 1.736 . . . . 0.0 110.561 177.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -125.84 42.75 3.23 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 105.601 -2.0 . . . . 0.0 105.601 177.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 50.2 tp -94.88 135.6 23.54 Favored Pre-proline 0 N--CA 1.439 -0.999 0 N-CA-C 107.135 -1.432 . . . . 0.0 107.135 -176.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -70.02 87.56 0.58 Allowed 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 123.546 2.831 . . . . 0.0 109.855 163.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -78.94 -43.46 24.59 Favored 'General case' 0 CA--C 1.498 -1.023 0 C-N-CA 124.434 1.094 . . . . 0.0 109.021 -172.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -88.48 -1.43 58.05 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 125.515 1.526 . . . . 0.0 109.571 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.31 -4.87 80.4 Favored Glycine 0 C--N 1.356 1.668 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 171.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 -90.51 -34.06 15.7 Favored 'General case' 0 C--N 1.358 0.959 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 172.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.8 mp -72.4 -26.14 24.03 Favored 'Isoleucine or valine' 0 C--N 1.359 0.98 0 C-N-CA 125.978 1.711 . . . . 0.0 108.431 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -60.16 -38.71 84.0 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 125.784 1.634 . . . . 0.0 111.596 175.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.2 t -76.02 -27.47 18.16 Favored 'Isoleucine or valine' 0 C--N 1.357 0.921 0 C-N-CA 125.369 1.468 . . . . 0.0 110.847 -175.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -71.46 -38.68 71.27 Favored 'General case' 0 CA--C 1.505 -0.752 0 C-N-CA 124.308 1.043 . . . . 0.0 110.614 -179.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 82.8 t -77.36 -28.91 16.48 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 C-N-CA 125.453 1.501 . . . . 0.0 108.957 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.401 ' HA ' ' CE1' ' A' ' 21' ' ' HIS . 41.8 t80 -69.02 -39.28 79.35 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 124.994 1.318 . . . . 0.0 110.712 179.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -83.79 -19.79 34.41 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 124.487 1.115 . . . . 0.0 110.281 -177.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -75.03 -48.57 23.4 Favored 'General case' 0 C--N 1.354 0.8 0 C-N-CA 123.92 0.888 . . . . 0.0 109.885 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.45 -32.13 31.8 Favored Glycine 0 C--N 1.353 1.515 0 N-CA-C 111.417 -0.673 . . . . 0.0 111.417 -176.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 66.98 35.5 4.67 Favored 'General case' 0 C--N 1.358 0.948 0 C-N-CA 126.3 1.84 . . . . 0.0 111.56 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.401 ' CE1' ' HA ' ' A' ' 16' ' ' PHE . 2.8 p80 -90.93 170.87 9.71 Favored 'General case' 0 N--CA 1.435 -1.184 0 C-N-CA 124.966 1.307 . . . . 0.0 109.262 -179.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 58.0 mt -91.85 -53.13 9.17 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.068 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 -176.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -92.47 129.18 38.48 Favored 'General case' 0 N--CA 1.432 -1.356 0 C-N-CA 125.8 1.64 . . . . 0.0 107.327 176.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -79.9 -64.11 1.26 Allowed 'General case' 0 C--N 1.355 0.811 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.367 1.364 0 O-C-N 123.331 0.394 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.42 ' H1 ' ' HB3' ' A' ' 5' ' ' LEU . . . . . . . . 0 C--O 1.229 0.009 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -90.22 107.31 19.06 Favored 'General case' 0 CA--C 1.502 -0.901 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 74.74 -86.98 0.02 OUTLIER 'General case' 0 C--N 1.358 0.955 0 C-N-CA 128.168 2.587 . . . . 0.0 109.274 178.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -140.66 71.0 1.36 Allowed 'General case' 0 N--CA 1.439 -1.007 0 N-CA-C 104.783 -2.303 . . . . 0.0 104.783 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.42 ' HB3' ' H1 ' ' A' ' 1' ' ' ACE . 6.2 tt -98.87 121.09 57.08 Favored Pre-proline 0 N--CA 1.442 -0.871 0 N-CA-C 105.256 -2.128 . . . . 0.0 105.256 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -79.01 84.1 2.12 Favored 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 123.169 2.58 . . . . 0.0 109.933 176.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -81.83 -24.11 36.06 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 124.276 1.03 . . . . 0.0 108.663 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -77.02 -24.02 52.13 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 126.991 2.116 . . . . 0.0 110.303 174.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.39 -28.58 47.79 Favored Glycine 0 C--N 1.347 1.153 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 174.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -83.62 -30.8 26.63 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 124.262 1.025 . . . . 0.0 110.72 -177.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.9 tt -78.15 -17.95 13.77 Favored 'Isoleucine or valine' 0 C--N 1.356 0.873 0 C-N-CA 124.396 1.079 . . . . 0.0 110.246 -175.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -76.17 -38.16 56.97 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 125.421 1.488 . . . . 0.0 109.369 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.3 t -72.64 -30.11 32.62 Favored 'Isoleucine or valine' 0 C--N 1.356 0.868 0 C-N-CA 125.083 1.353 . . . . 0.0 109.838 -178.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.35 -27.58 69.42 Favored 'General case' 0 N--CA 1.439 -1.001 0 C-N-CA 126.098 1.759 . . . . 0.0 113.446 178.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.9 t -70.06 -40.99 79.09 Favored 'Isoleucine or valine' 0 C--N 1.359 0.989 0 C-N-CA 124.698 1.199 . . . . 0.0 109.411 178.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -72.44 -35.11 68.22 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 124.457 1.103 . . . . 0.0 110.097 -177.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -71.94 -29.02 63.85 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 125.342 1.457 . . . . 0.0 110.638 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -74.3 -16.46 60.93 Favored 'General case' 0 C--N 1.356 0.882 0 C-N-CA 124.77 1.228 . . . . 0.0 111.169 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.01 -30.22 59.54 Favored Glycine 0 C--N 1.356 1.687 0 C-N-CA 124.249 0.928 . . . . 0.0 111.044 176.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -82.64 -30.7 29.21 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 123.661 0.785 . . . . 0.0 109.079 175.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 43.9 m170 -76.18 167.17 22.35 Favored 'General case' 0 C--N 1.356 0.884 0 C-N-CA 123.753 0.821 . . . . 0.0 109.87 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 68.5 mt -88.45 -57.71 4.03 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.028 0 N-CA-C 104.34 -2.467 . . . . 0.0 104.34 170.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -142.38 151.72 42.15 Favored 'General case' 0 N--CA 1.429 -1.489 0 N-CA-C 105.065 -2.198 . . . . 0.0 105.065 168.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 13.7 t-160 -85.0 118.54 24.63 Favored 'General case' 0 N--CA 1.442 -0.828 0 N-CA-C 107.805 -1.184 . . . . 0.0 107.805 -178.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.367 1.341 0 CA-C-N 116.277 -0.419 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.008 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -83.14 -66.22 0.92 Allowed 'General case' 0 C--N 1.359 1.004 0 C-N-CA 127.021 2.128 . . . . 0.0 107.778 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -95.65 91.2 6.0 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-O 121.768 0.794 . . . . 0.0 109.16 -173.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -87.08 -54.07 4.52 Favored 'General case' 0 CA--C 1.504 -0.819 0 N-CA-C 105.012 -2.218 . . . . 0.0 105.012 165.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 86.6 mt -88.8 171.0 9.84 Favored Pre-proline 0 N--CA 1.443 -0.806 0 N-CA-C 105.367 -2.086 . . . . 0.0 105.367 167.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -74.47 84.95 1.49 Allowed 'Trans proline' 0 N--CA 1.457 -0.641 0 CA-C-N 123.173 2.169 . . . . 0.0 109.064 168.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -87.78 -26.1 23.04 Favored 'General case' 0 CA--C 1.494 -1.175 0 C-N-CA 124.519 1.128 . . . . 0.0 110.087 -171.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -82.31 -22.33 35.67 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 172.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.26 -13.86 75.71 Favored Glycine 0 C--N 1.356 1.656 0 C-N-CA 124.437 1.017 . . . . 0.0 111.205 176.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -88.54 -27.18 21.58 Favored 'General case' 0 C--N 1.357 0.917 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 174.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -76.2 -24.11 16.15 Favored 'Isoleucine or valine' 0 C--N 1.357 0.901 0 C-N-CA 125.436 1.494 . . . . 0.0 108.9 176.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -72.76 -21.73 60.96 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 125.398 1.479 . . . . 0.0 111.03 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.8 t -72.92 -31.35 35.55 Favored 'Isoleucine or valine' 0 C--N 1.357 0.919 0 C-N-CA 124.669 1.188 . . . . 0.0 110.11 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.03 -31.61 64.55 Favored 'General case' 0 CA--C 1.511 -0.535 0 C-N-CA 124.571 1.148 . . . . 0.0 110.02 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 68.1 t -75.12 -34.52 31.86 Favored 'Isoleucine or valine' 0 C--N 1.356 0.854 0 C-N-CA 124.878 1.271 . . . . 0.0 108.991 178.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -69.85 -33.76 72.7 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 125.061 1.344 . . . . 0.0 110.399 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -81.04 -26.86 36.04 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 124.475 1.11 . . . . 0.0 110.345 -178.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -70.05 -45.72 66.51 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 124.574 1.15 . . . . 0.0 110.575 -176.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.69 -39.26 18.08 Favored Glycine 0 C--N 1.353 1.502 0 N-CA-C 109.75 -1.34 . . . . 0.0 109.75 177.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 68.56 68.35 0.31 Allowed 'General case' 0 C--N 1.357 0.916 0 C-N-CA 126.711 2.004 . . . . 0.0 109.263 178.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -86.77 148.75 25.28 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.13 -171.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.5 mm -102.76 -56.62 5.02 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.123 0 N-CA-C 103.945 -2.613 . . . . 0.0 103.945 172.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -139.86 150.3 44.47 Favored 'General case' 0 N--CA 1.428 -1.538 0 N-CA-C 105.09 -2.189 . . . . 0.0 105.09 172.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -87.51 -63.09 1.36 Allowed 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.368 1.403 0 O-C-N 123.124 0.265 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.073 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -92.1 144.98 24.88 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -93.96 88.91 5.87 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 105.455 -2.054 . . . . 0.0 105.455 177.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -87.18 -55.59 3.75 Favored 'General case' 0 CA--C 1.498 -1.033 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.0 mp -89.64 150.46 44.24 Favored Pre-proline 0 N--CA 1.442 -0.846 0 N-CA-C 105.617 -1.994 . . . . 0.0 105.617 174.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -82.2 6.99 5.36 Favored 'Trans proline' 0 CA--C 1.505 -0.943 0 C-N-CA 123.534 2.822 . . . . 0.0 111.014 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -90.54 -24.77 20.52 Favored 'General case' 0 CA--C 1.499 -0.989 0 C-N-CA 126.69 1.996 . . . . 0.0 108.059 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -85.05 -14.48 47.16 Favored 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 125.344 1.458 . . . . 0.0 107.743 171.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.6 -31.49 45.09 Favored Glycine 0 C--N 1.355 1.594 0 N-CA-C 109.594 -1.402 . . . . 0.0 109.594 171.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 -84.59 -14.23 49.37 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 124.238 1.015 . . . . 0.0 111.218 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.3 tp -78.9 -22.33 12.82 Favored 'Isoleucine or valine' 0 C--N 1.36 1.063 0 C-N-CA 123.106 0.562 . . . . 0.0 109.966 -177.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -77.43 -31.62 54.07 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 125.286 1.434 . . . . 0.0 109.512 177.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 45.7 t -76.11 -23.55 16.04 Favored 'Isoleucine or valine' 0 C--N 1.357 0.906 0 C-N-CA 125.238 1.415 . . . . 0.0 109.091 178.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -75.73 -24.16 56.11 Favored 'General case' 0 N--CA 1.443 -0.82 0 C-N-CA 124.911 1.285 . . . . 0.0 111.584 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.2 t -73.56 -38.76 52.92 Favored 'Isoleucine or valine' 0 C--N 1.358 0.953 0 C-N-CA 124.337 1.055 . . . . 0.0 108.425 175.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -73.54 -23.82 60.04 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 124.706 1.202 . . . . 0.0 110.317 178.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -75.07 -32.21 61.44 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 125.131 1.373 . . . . 0.0 109.413 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 52.5 m170 -80.78 -10.74 59.7 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 124.47 1.108 . . . . 0.0 110.841 177.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.1 -45.18 4.21 Favored Glycine 0 C--N 1.355 1.592 0 N-CA-C 110.253 -1.139 . . . . 0.0 110.253 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -83.05 -35.92 25.35 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 123.683 0.793 . . . . 0.0 110.602 -172.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -118.31 159.75 22.84 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 105.851 -1.907 . . . . 0.0 105.851 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . 0.354 13.1 tt 50.38 39.47 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.36 1.042 0 C-N-CA 128.277 2.631 . . . . 0.0 112.814 -178.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 14.3 t-160 -172.54 -63.16 0.02 OUTLIER 'General case' 0 N--CA 1.436 -1.153 0 N-CA-C 102.906 -2.998 . . . . 0.0 102.906 -176.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 65.9 m-70 66.16 56.46 0.82 Allowed 'General case' 0 C--N 1.356 0.861 0 C-N-CA 125.642 1.577 . . . . 0.0 111.281 177.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.368 1.398 0 CA-C-N 115.8 -0.636 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.009 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -99.26 176.87 5.39 Favored 'General case' 0 CA--C 1.504 -0.822 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 77.0 130.88 0.05 OUTLIER 'General case' 0 C--N 1.358 0.955 0 C-N-CA 127.013 2.125 . . . . 0.0 110.555 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -139.52 85.7 2.07 Favored 'General case' 0 N--CA 1.435 -1.205 0 N-CA-C 102.376 -3.194 . . . . 0.0 102.376 174.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.8 mt -83.59 161.41 56.46 Favored Pre-proline 0 N--CA 1.44 -0.969 0 C-N-CA 124.859 1.264 . . . . 0.0 107.59 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -82.04 10.01 3.71 Favored 'Trans proline' 0 CA--C 1.509 -0.728 0 C-N-CA 123.085 2.524 . . . . 0.0 111.135 176.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -106.8 -31.29 8.46 Favored 'General case' 0 N--CA 1.439 -1.016 0 C-N-CA 126.612 1.965 . . . . 0.0 106.546 175.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -79.3 -11.12 59.94 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 126.149 1.779 . . . . 0.0 109.87 179.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.85 -21.86 73.29 Favored Glycine 0 C--N 1.355 1.599 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 175.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.9 m80 -85.73 -27.75 25.06 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 124.232 1.013 . . . . 0.0 109.329 177.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.2 mt -82.22 -26.93 9.07 Favored 'Isoleucine or valine' 0 C--N 1.355 0.824 0 C-N-CA 125.397 1.479 . . . . 0.0 107.908 -176.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -70.84 -40.15 72.56 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 125.107 1.363 . . . . 0.0 110.503 178.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.2 t -78.76 -19.14 13.15 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 C-N-CA 124.835 1.254 . . . . 0.0 109.901 -177.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.1 -34.37 77.88 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 125.36 1.464 . . . . 0.0 112.119 176.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 43.7 t -73.97 -34.01 38.06 Favored 'Isoleucine or valine' 0 C--N 1.358 0.943 0 C-N-CA 125.264 1.426 . . . . 0.0 109.263 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -69.29 -37.14 77.68 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 124.661 1.184 . . . . 0.0 110.464 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -77.97 -23.06 48.56 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 124.033 0.933 . . . . 0.0 110.76 -178.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -73.28 -45.56 54.9 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 123.86 0.864 . . . . 0.0 109.187 177.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.87 20.73 37.5 Favored Glycine 0 C--N 1.355 1.604 0 C-N-CA 123.754 0.692 . . . . 0.0 112.058 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -82.37 -41.85 19.43 Favored 'General case' 0 C--N 1.356 0.882 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 175.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -75.86 178.12 6.44 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 124.556 1.143 . . . . 0.0 111.915 -173.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 66.7 mt -85.14 -68.91 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.498 -1.052 0 N-CA-C 106.086 -1.82 . . . . 0.0 106.086 179.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -89.31 126.84 35.68 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 125.419 1.487 . . . . 0.0 107.71 175.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 17.7 p-80 -163.75 127.58 2.72 Favored 'General case' 0 N--CA 1.435 -1.183 0 N-CA-C 105.331 -2.1 . . . . 0.0 105.331 179.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.367 1.336 0 CA-C-N 116.286 -0.415 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.07 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 68.8 -113.58 0.12 Allowed 'General case' 0 C--N 1.357 0.904 0 C-N-CA 126.088 1.755 . . . . 0.0 109.904 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 77.95 133.02 0.06 Allowed 'General case' 0 C--N 1.36 1.038 0 C-N-CA 126.986 2.115 . . . . 0.0 111.203 177.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -94.41 -72.23 0.63 Allowed 'General case' 0 CA--C 1.499 -1.018 0 N-CA-C 104.025 -2.583 . . . . 0.0 104.025 171.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.7 mp -95.25 143.6 26.39 Favored Pre-proline 0 N--CA 1.442 -0.859 0 N-CA-C 104.564 -2.384 . . . . 0.0 104.564 165.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -69.41 92.36 0.48 Allowed 'Trans proline' 0 N--CA 1.455 -0.744 0 C-N-CA 123.163 2.576 . . . . 0.0 111.067 167.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -87.15 -27.64 22.94 Favored 'General case' 0 CA--C 1.505 -0.76 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -86.11 -12.92 48.73 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 125.698 1.599 . . . . 0.0 109.723 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.36 -30.95 11.13 Favored Glycine 0 C--N 1.355 1.598 0 N-CA-C 108.909 -1.676 . . . . 0.0 108.909 172.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -90.53 5.53 47.35 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 124.557 1.143 . . . . 0.0 110.659 -177.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.3 tp -70.19 -29.98 41.73 Favored 'Isoleucine or valine' 0 C--N 1.357 0.931 0 C-N-CA 124.598 1.159 . . . . 0.0 111.435 -172.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -75.66 -35.13 60.49 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 125.436 1.495 . . . . 0.0 108.987 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.1 t -73.87 -21.96 18.33 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 C-N-CA 125.432 1.493 . . . . 0.0 111.04 -171.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -69.62 -40.91 76.31 Favored 'General case' 0 CA--C 1.507 -0.69 0 C-N-CA 123.937 0.895 . . . . 0.0 110.452 176.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.6 t -75.38 -36.56 36.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 C-N-CA 125.22 1.408 . . . . 0.0 109.132 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -68.38 -45.6 72.29 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 125.427 1.491 . . . . 0.0 110.568 -176.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -77.95 -18.49 55.97 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 124.644 1.177 . . . . 0.0 110.723 -174.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -75.24 -45.25 41.4 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 123.626 0.77 . . . . 0.0 109.902 176.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.86 -23.54 63.94 Favored Glycine 0 C--N 1.354 1.572 0 C-N-CA 123.823 0.725 . . . . 0.0 111.939 -176.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -80.68 -56.45 4.14 Favored 'General case' 0 CA--C 1.503 -0.828 0 C-N-CA 124.642 1.177 . . . . 0.0 108.094 178.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 71.26 143.71 0.06 Allowed 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 128.129 2.571 . . . . 0.0 112.601 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.2 mt -95.81 -55.56 5.99 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.069 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 -175.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.585 ' CG ' ' H ' ' A' ' 24' ' ' HIS . 9.2 t-160 72.72 -154.78 0.08 Allowed 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 127.165 2.186 . . . . 0.0 109.951 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.585 ' H ' ' CG ' ' A' ' 23' ' ' HIS . 61.8 t-80 -90.82 119.37 30.98 Favored 'General case' 0 N--CA 1.438 -1.042 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.368 1.384 0 CA-C-N 116.331 -0.395 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.041 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -90.54 -69.6 0.72 Allowed 'General case' 0 C--N 1.359 0.979 0 C-N-CA 127.066 2.146 . . . . 0.0 106.692 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -90.72 -9.58 46.2 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 124.077 0.951 . . . . 0.0 109.453 174.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -110.93 65.21 0.61 Allowed 'General case' 0 N--CA 1.438 -1.025 0 N-CA-C 105.804 -1.924 . . . . 0.0 105.804 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.1 mp -71.42 143.45 87.87 Favored Pre-proline 0 C--N 1.354 0.78 0 C-N-CA 124.024 0.929 . . . . 0.0 109.93 -176.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -68.77 95.54 0.48 Allowed 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 123.371 2.714 . . . . 0.0 110.402 164.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -93.55 -55.27 3.34 Favored 'General case' 0 CA--C 1.497 -1.082 0 N-CA-C 106.113 -1.81 . . . . 0.0 106.113 177.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -87.43 -5.82 58.68 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 125.89 1.676 . . . . 0.0 110.085 -179.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.54 -41.18 5.49 Favored Glycine 0 C--N 1.354 1.567 0 N-CA-C 109.372 -1.491 . . . . 0.0 109.372 177.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -84.34 -16.27 43.53 Favored 'General case' 0 C--N 1.355 0.847 0 C-N-CA 123.49 0.716 . . . . 0.0 111.56 -173.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.0 tt -73.19 -23.15 19.78 Favored 'Isoleucine or valine' 0 C--N 1.357 0.901 0 O-C-N 121.525 -0.734 . . . . 0.0 110.316 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -75.18 -30.73 60.75 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 125.417 1.487 . . . . 0.0 110.21 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.5 t -73.43 -31.72 34.32 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 C-N-CA 125.101 1.36 . . . . 0.0 109.364 179.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -78.24 -0.44 28.62 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 125.364 1.466 . . . . 0.0 112.43 -178.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.7 t -83.39 -43.79 18.32 Favored 'Isoleucine or valine' 0 C--N 1.354 0.783 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 172.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -77.36 -30.71 53.96 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 124.503 1.121 . . . . 0.0 110.426 -177.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -78.55 -42.33 29.62 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 124.541 1.137 . . . . 0.0 110.155 -174.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -86.18 -12.57 49.43 Favored 'General case' 0 C--N 1.356 0.884 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -176.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.43 -25.54 39.09 Favored Glycine 0 C--N 1.354 1.561 0 N-CA-C 110.136 -1.186 . . . . 0.0 110.136 175.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -83.55 -74.98 0.35 Allowed 'General case' 0 C--N 1.357 0.918 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -93.66 145.55 24.48 Favored 'General case' 0 N--CA 1.433 -1.295 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 178.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.3 mp -117.86 -77.85 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.497 -1.089 0 N-CA-C 104.361 -2.459 . . . . 0.0 104.361 -178.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.4 t-160 -149.25 -59.47 0.21 Allowed 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 105.625 -1.991 . . . . 0.0 105.625 -178.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 62.1 m80 64.59 -122.45 0.45 Allowed 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.224 1.41 . . . . 0.0 109.91 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.365 1.265 0 O-C-N 123.183 0.302 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.028 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 30.7 t80 74.11 120.65 0.04 OUTLIER 'General case' 0 C--N 1.356 0.87 0 C-N-CA 127.367 2.267 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -105.56 -118.81 0.23 Allowed 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 104.455 -2.424 . . . . 0.0 104.455 171.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -98.52 -31.51 11.93 Favored 'General case' 0 CA--C 1.503 -0.843 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 172.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 78.8 mt -90.08 145.02 32.15 Favored Pre-proline 0 N--CA 1.441 -0.919 0 C-N-CA 124.554 1.141 . . . . 0.0 108.276 -176.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -83.09 19.46 1.32 Allowed 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 123.996 3.131 . . . . 0.0 110.857 175.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -80.16 -43.95 20.72 Favored 'General case' 0 CA--C 1.5 -0.952 0 C-N-CA 125.567 1.547 . . . . 0.0 107.653 178.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -87.68 -10.71 50.49 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 125.118 1.367 . . . . 0.0 108.653 175.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.85 -2.17 90.64 Favored Glycine 0 C--N 1.357 1.741 0 C-N-CA 124.625 1.107 . . . . 0.0 111.447 174.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -86.65 -39.36 16.17 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 170.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.8 mp -68.91 -26.96 33.8 Favored 'Isoleucine or valine' 0 C--N 1.357 0.929 0 C-N-CA 126.181 1.792 . . . . 0.0 108.869 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -58.25 -41.22 83.74 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 125.873 1.669 . . . . 0.0 111.3 174.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.3 t -70.51 -29.53 38.96 Favored 'Isoleucine or valine' 0 C--N 1.357 0.928 0 C-N-CA 125.448 1.499 . . . . 0.0 111.519 -175.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.73 -38.63 70.44 Favored 'General case' 0 CA--C 1.51 -0.579 0 C-N-CA 123.913 0.885 . . . . 0.0 109.799 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.8 t -74.87 -30.91 24.78 Favored 'Isoleucine or valine' 0 C--N 1.355 0.812 0 C-N-CA 125.096 1.358 . . . . 0.0 109.607 -179.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -68.38 -41.75 80.12 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 125.897 1.679 . . . . 0.0 110.079 -178.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -77.69 -31.68 52.58 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 125.044 1.337 . . . . 0.0 110.42 -177.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -72.09 -35.45 69.22 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 124.902 1.281 . . . . 0.0 110.444 -178.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.86 -18.56 79.51 Favored Glycine 0 C--N 1.356 1.646 0 C-N-CA 124.042 0.829 . . . . 0.0 111.726 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 76.37 78.03 0.09 Allowed 'General case' 0 C--N 1.359 0.991 0 C-N-CA 126.675 1.99 . . . . 0.0 108.614 176.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 51.6 p-80 -79.09 160.47 27.05 Favored 'General case' 0 N--CA 1.437 -1.116 0 C-N-CA 124.368 1.067 . . . . 0.0 110.803 -178.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 69.4 mt -102.37 -67.17 1.06 Allowed 'Isoleucine or valine' 0 CA--C 1.498 -1.051 0 N-CA-C 104.506 -2.405 . . . . 0.0 104.506 175.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 74.24 130.93 0.04 OUTLIER 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 128.157 2.583 . . . . 0.0 111.307 177.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 62.9 t-80 -89.49 115.87 27.24 Favored 'General case' 0 N--CA 1.441 -0.913 0 N-CA-C 107.151 -1.426 . . . . 0.0 107.151 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.367 1.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.053 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -91.74 151.48 20.61 Favored 'General case' 0 CA--C 1.501 -0.906 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -105.31 -112.59 0.26 Allowed 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 106.201 -1.778 . . . . 0.0 106.201 -178.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -98.11 26.13 5.55 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 125.41 1.484 . . . . 0.0 108.26 174.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 76.4 mt -84.27 157.29 62.41 Favored Pre-proline 0 N--CA 1.439 -1.004 0 C-N-CA 125.01 1.324 . . . . 0.0 109.042 -173.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -74.06 93.25 0.88 Allowed 'Trans proline' 0 N--CA 1.452 -0.926 0 C-N-CA 123.22 2.613 . . . . 0.0 109.11 167.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -70.32 -31.73 69.17 Favored 'General case' 0 CA--C 1.504 -0.816 0 C-N-CA 125.266 1.426 . . . . 0.0 111.846 -178.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -82.5 -7.19 59.65 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 125.88 1.672 . . . . 0.0 110.7 177.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.67 -34.97 7.52 Favored Glycine 0 C--N 1.353 1.489 0 N-CA-C 108.39 -1.884 . . . . 0.0 108.39 172.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -87.79 -1.33 57.9 Favored 'General case' 0 C--N 1.356 0.848 0 C-N-CA 124.627 1.171 . . . . 0.0 111.215 -177.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.7 tp -79.87 -23.19 11.89 Favored 'Isoleucine or valine' 0 C--N 1.358 0.966 0 C-N-CA 123.688 0.795 . . . . 0.0 108.894 178.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -78.56 -35.42 46.03 Favored 'General case' 0 N--CA 1.439 -0.985 0 C-N-CA 125.482 1.513 . . . . 0.0 108.867 178.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.0 t -71.06 -30.79 42.62 Favored 'Isoleucine or valine' 0 C--N 1.357 0.898 0 C-N-CA 125.728 1.611 . . . . 0.0 110.007 -178.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -65.67 -36.61 84.15 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 126.13 1.772 . . . . 0.0 111.812 178.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 89.3 t -75.08 -32.31 26.48 Favored 'Isoleucine or valine' 0 C--N 1.357 0.925 0 C-N-CA 125.23 1.412 . . . . 0.0 109.507 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -73.88 -30.61 62.73 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 123.599 0.76 . . . . 0.0 110.608 -179.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -80.27 -25.04 39.66 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 124.612 1.165 . . . . 0.0 110.092 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -78.98 -36.06 41.96 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 124.374 1.07 . . . . 0.0 109.489 179.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.27 -19.31 72.22 Favored Glycine 0 C--N 1.356 1.654 0 C-N-CA 124.308 0.956 . . . . 0.0 111.262 -179.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -78.58 -54.15 6.44 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 174.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.553 ' CG ' ' H ' ' A' ' 22' ' ' ILE . 6.0 t-80 66.39 -147.73 0.19 Allowed 'General case' 0 C--N 1.358 0.936 0 C-N-CA 126.242 1.817 . . . . 0.0 110.557 176.163 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.553 ' H ' ' CG ' ' A' ' 21' ' ' HIS . 4.8 mp -101.94 -71.44 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.496 -1.099 0 N-CA-C 103.013 -2.958 . . . . 0.0 103.013 174.172 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -155.09 -94.0 0.04 OUTLIER 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 103.944 -2.613 . . . . 0.0 103.944 174.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -80.78 -58.87 2.9 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 123.591 0.756 . . . . 0.0 109.086 178.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.367 1.341 0 O-C-N 123.309 0.381 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.057 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -96.13 171.34 8.67 Favored 'General case' 0 CA--C 1.502 -0.895 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -86.45 -65.28 1.03 Allowed 'General case' 0 N--CA 1.441 -0.878 0 N-CA-C 106.996 -1.483 . . . . 0.0 106.996 176.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.8 t70 64.41 52.94 1.75 Allowed 'General case' 0 C--N 1.358 0.961 0 C-N-CA 126.187 1.795 . . . . 0.0 109.99 179.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.6 tt -154.12 122.91 3.08 Favored Pre-proline 0 N--CA 1.438 -1.039 0 N-CA-C 103.044 -2.947 . . . . 0.0 103.044 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -75.8 88.71 1.28 Allowed 'Trans proline' 0 N--CA 1.454 -0.801 0 C-N-CA 123.18 2.587 . . . . 0.0 109.663 171.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -90.01 -59.18 2.26 Favored 'General case' 0 CA--C 1.496 -1.116 0 N-CA-C 106.263 -1.755 . . . . 0.0 106.263 178.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -82.62 -22.26 34.79 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 125.994 1.718 . . . . 0.0 108.668 176.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.78 -27.91 68.12 Favored Glycine 0 C--N 1.356 1.657 0 C-N-CA 124.033 0.825 . . . . 0.0 111.063 178.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -80.07 -39.74 29.1 Favored 'General case' 0 CA--C 1.503 -0.833 0 C-N-CA 123.726 0.81 . . . . 0.0 109.18 174.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.18 -27.84 36.55 Favored 'Isoleucine or valine' 0 C--N 1.357 0.928 0 C-N-CA 124.88 1.272 . . . . 0.0 111.755 -171.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -73.45 -42.34 62.09 Favored 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 124.685 1.194 . . . . 0.0 110.065 -177.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 63.8 t -77.12 -25.04 15.24 Favored 'Isoleucine or valine' 0 C--N 1.355 0.817 0 C-N-CA 125.484 1.513 . . . . 0.0 110.201 -177.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -73.05 -34.06 66.07 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 126.028 1.731 . . . . 0.0 110.041 -176.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.9 t -74.46 -34.56 36.28 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 C-N-CA 124.614 1.166 . . . . 0.0 109.396 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.9 m-30 -72.4 -33.24 67.02 Favored 'General case' 0 C--N 1.356 0.875 0 C-N-CA 123.722 0.809 . . . . 0.0 110.875 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.5 t-20 -81.31 -24.45 37.17 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 124.996 1.319 . . . . 0.0 109.623 -177.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -80.06 -26.73 39.56 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 124.087 0.955 . . . . 0.0 109.968 177.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.94 -19.92 60.38 Favored Glycine 0 C--N 1.356 1.645 0 N-CA-C 110.494 -1.042 . . . . 0.0 110.494 177.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -82.08 -71.42 0.48 Allowed 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 178.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -89.92 115.59 27.34 Favored 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 106.951 -1.5 . . . . 0.0 106.951 177.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 19.3 mt -114.77 62.18 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 N-CA-C 103.266 -2.865 . . . . 0.0 103.266 -177.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 68.05 -115.3 0.17 Allowed 'General case' 0 C--N 1.354 0.799 0 C-N-CA 126.575 1.95 . . . . 0.0 109.54 -178.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -85.31 121.25 27.78 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 179.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.366 1.316 0 CA-C-N 116.325 -0.398 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.007 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . 0.367 32.8 p90 58.65 175.16 0.07 Allowed 'General case' 0 C--N 1.358 0.962 0 C-N-CA 128.213 2.605 . . . . 0.0 114.86 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -123.83 -91.44 0.55 Allowed 'General case' 0 CA--C 1.501 -0.927 0 N-CA-C 105.64 -1.985 . . . . 0.0 105.64 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . 0.341 1.5 p30 46.74 64.61 1.47 Allowed 'General case' 0 C--N 1.36 1.03 0 C-N-CA 127.43 2.292 . . . . 0.0 113.969 -177.073 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.8 mp -89.05 164.84 29.43 Favored Pre-proline 0 N--CA 1.444 -0.761 0 N-CA-C 105.607 -1.997 . . . . 0.0 105.607 176.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -80.72 17.75 1.36 Allowed 'Trans proline' 0 CA--C 1.513 -0.539 0 C-N-CA 123.52 2.813 . . . . 0.0 111.258 174.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -102.8 -35.32 8.68 Favored 'General case' 0 CA--C 1.497 -1.083 0 C-N-CA 126.209 1.803 . . . . 0.0 106.641 175.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -88.46 -9.77 51.38 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 125.911 1.684 . . . . 0.0 109.62 177.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.94 -35.5 7.14 Favored Glycine 0 C--N 1.355 1.59 0 N-CA-C 108.613 -1.795 . . . . 0.0 108.613 173.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -91.11 9.83 29.36 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 124.734 1.214 . . . . 0.0 110.357 -177.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.1 tp -67.59 -33.19 60.55 Favored 'Isoleucine or valine' 0 C--N 1.357 0.908 0 C-N-CA 124.514 1.126 . . . . 0.0 111.857 -173.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -80.15 -27.04 39.11 Favored 'General case' 0 C--N 1.355 0.847 0 C-N-CA 124.489 1.116 . . . . 0.0 110.057 -177.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.8 t -72.99 -28.66 27.01 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 C-N-CA 124.709 1.204 . . . . 0.0 110.126 -176.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -70.09 -41.1 74.51 Favored 'General case' 0 CA--C 1.508 -0.649 0 C-N-CA 125.322 1.449 . . . . 0.0 110.238 178.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 89.9 t -71.15 -35.33 58.05 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 C-N-CA 125.052 1.341 . . . . 0.0 109.565 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -72.35 -26.91 62.1 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 125.42 1.488 . . . . 0.0 110.595 -178.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -81.75 -42.11 20.26 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 124.639 1.175 . . . . 0.0 109.497 -178.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 59.2 m170 -72.68 -38.19 67.67 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 124.821 1.248 . . . . 0.0 110.759 -174.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.12 -28.46 56.15 Favored Glycine 0 C--N 1.353 1.52 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 177.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 71.26 73.59 0.18 Allowed 'General case' 0 C--N 1.357 0.899 0 C-N-CA 126.67 1.988 . . . . 0.0 109.692 177.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . 0.273 4.1 p-80 61.72 170.84 0.12 Allowed 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 128.304 2.642 . . . . 0.0 115.364 176.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.4 pt -110.41 -21.81 5.39 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.769 0 C-N-CA 124.37 1.068 . . . . 0.0 109.005 176.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -152.51 141.33 21.05 Favored 'General case' 0 N--CA 1.431 -1.377 0 N-CA-C 104.981 -2.229 . . . . 0.0 104.981 178.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -83.67 117.99 23.56 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 -176.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.367 1.367 0 CA-C-N 116.123 -0.49 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -80.33 -46.53 15.95 Favored 'General case' 0 C--N 1.353 0.727 0 C-N-CA 124.231 1.012 . . . . 0.0 108.398 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -89.21 -56.7 3.16 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 174.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.9 t0 67.09 63.4 0.46 Allowed 'General case' 0 C--N 1.359 1.013 0 C-N-CA 126.127 1.771 . . . . 0.0 109.195 179.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.599 HD23 ' H ' ' A' ' 5' ' ' LEU . 2.0 pt? -92.99 151.82 40.91 Favored Pre-proline 0 N--CA 1.44 -0.944 0 C-N-CA 124.469 1.108 . . . . 0.0 108.189 -179.025 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -82.28 72.38 6.13 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 123.182 2.588 . . . . 0.0 109.918 171.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -84.53 -61.52 1.78 Allowed 'General case' 0 CA--C 1.497 -1.065 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 171.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -82.66 -16.23 49.01 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 125.556 1.542 . . . . 0.0 108.76 176.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.23 -12.18 83.49 Favored Glycine 0 C--N 1.357 1.706 0 C-N-CA 124.08 0.848 . . . . 0.0 111.638 177.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -88.83 -31.75 18.16 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 124.355 1.062 . . . . 0.0 108.738 173.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.6 mp -73.91 -26.18 21.07 Favored 'Isoleucine or valine' 0 C--N 1.357 0.902 0 C-N-CA 125.331 1.452 . . . . 0.0 108.646 178.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -66.68 -30.36 70.59 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 125.324 1.45 . . . . 0.0 111.346 178.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.0 t -71.97 -31.77 41.7 Favored 'Isoleucine or valine' 0 C--N 1.358 0.937 0 C-N-CA 124.83 1.252 . . . . 0.0 110.372 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -73.95 -34.0 64.12 Favored 'General case' 0 CA--C 1.508 -0.665 0 C-N-CA 125.154 1.382 . . . . 0.0 111.205 -176.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.4 t -73.63 -36.77 48.05 Favored 'Isoleucine or valine' 0 C--N 1.357 0.908 0 C-N-CA 125.007 1.323 . . . . 0.0 108.714 179.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -68.88 -38.43 79.66 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 124.512 1.125 . . . . 0.0 110.031 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -73.7 -21.79 60.13 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 124.911 1.284 . . . . 0.0 111.067 -175.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -70.4 -46.93 63.01 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 123.732 0.813 . . . . 0.0 110.512 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.22 -16.07 51.57 Favored Glycine 0 C--N 1.353 1.487 0 CA-C-O 119.754 -0.47 . . . . 0.0 112.756 -176.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -153.1 73.94 1.01 Allowed 'General case' 0 CA--C 1.495 -1.168 0 N-CA-C 103.817 -2.66 . . . . 0.0 103.817 -169.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 71.3 m80 -61.51 122.08 14.33 Favored 'General case' 0 CA--C 1.507 -0.703 0 C-N-CA 125.127 1.371 . . . . 0.0 111.725 178.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 42.7 mm -108.88 -79.48 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.499 -0.988 0 N-CA-C 104.333 -2.469 . . . . 0.0 104.333 177.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 -154.99 -81.47 0.08 Allowed 'General case' 0 N--CA 1.431 -1.397 0 N-CA-C 104.42 -2.437 . . . . 0.0 104.42 178.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -83.43 129.52 34.99 Favored 'General case' 0 N--CA 1.439 -1.002 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 178.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.367 1.338 0 O-C-N 123.417 0.448 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.011 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -87.02 -43.17 12.53 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 126.861 2.065 . . . . 0.0 109.009 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -128.94 102.42 6.51 Favored 'General case' 0 N--CA 1.437 -1.119 0 N-CA-C 103.458 -2.793 . . . . 0.0 103.458 179.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -89.39 -35.21 16.18 Favored 'General case' 0 CA--C 1.496 -1.109 0 C-N-CA 124.018 0.927 . . . . 0.0 111.57 -165.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 73.1 mt -75.52 157.26 84.59 Favored Pre-proline 0 N--CA 1.446 -0.655 0 C-N-CA 124.742 1.217 . . . . 0.0 109.43 -172.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -77.89 85.38 1.82 Allowed 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 122.923 2.416 . . . . 0.0 110.313 176.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -93.04 -32.52 14.45 Favored 'General case' 0 CA--C 1.502 -0.886 0 N-CA-C 105.823 -1.917 . . . . 0.0 105.823 170.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -71.7 -34.28 69.5 Favored 'General case' 0 N--CA 1.443 -0.825 0 C-N-CA 126.628 1.971 . . . . 0.0 109.668 173.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.91 -7.98 80.06 Favored Glycine 0 C--N 1.353 1.522 0 C-N-CA 124.471 1.034 . . . . 0.0 111.593 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -87.54 -39.59 15.0 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 174.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.4 mt -74.29 -24.59 19.06 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 C-N-CA 125.433 1.493 . . . . 0.0 108.654 -177.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -62.16 -33.0 73.67 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 125.572 1.549 . . . . 0.0 111.754 175.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.4 t -74.7 -29.9 23.93 Favored 'Isoleucine or valine' 0 C--N 1.358 0.956 0 C-N-CA 124.917 1.287 . . . . 0.0 110.666 -178.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.08 -32.97 61.61 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 124.304 1.042 . . . . 0.0 110.124 -179.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 69.8 t -74.16 -35.44 40.85 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 C-N-CA 124.685 1.194 . . . . 0.0 108.823 178.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -71.2 -33.65 70.13 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 124.647 1.179 . . . . 0.0 110.32 179.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -74.38 -31.19 62.28 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 124.84 1.256 . . . . 0.0 109.942 -177.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -75.68 -39.89 56.76 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 124.653 1.181 . . . . 0.0 109.802 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.92 -23.82 68.35 Favored Glycine 0 C--N 1.355 1.636 0 C-N-CA 124.2 0.905 . . . . 0.0 112.009 -176.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -80.56 -51.76 8.39 Favored 'General case' 0 N--CA 1.441 -0.882 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 177.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . 0.252 61.6 t60 68.1 -120.66 0.19 Allowed 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 126.234 1.814 . . . . 0.0 110.537 179.417 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 31.4 mt 72.21 93.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.925 0 C-N-CA 126.82 2.048 . . . . 0.0 108.724 -176.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -79.01 -79.01 0.14 Allowed 'General case' 0 N--CA 1.438 -1.027 0 C-N-CA 124.464 1.106 . . . . 0.0 108.274 177.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 62.31 64.03 0.99 Allowed 'General case' 0 C--N 1.356 0.889 0 C-N-CA 125.486 1.514 . . . . 0.0 110.532 -178.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.369 1.424 0 CA-C-N 115.599 -0.728 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.0 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -93.58 177.84 5.89 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 126.631 1.973 . . . . 0.0 107.939 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -100.85 66.69 1.19 Allowed 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 105.616 -1.994 . . . . 0.0 105.616 173.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -89.61 -20.44 23.71 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 125.736 1.614 . . . . 0.0 108.992 -179.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.599 HD13 ' H ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -77.63 160.15 75.35 Favored Pre-proline 0 N--CA 1.439 -0.999 0 C-N-CA 126.348 1.859 . . . . 0.0 107.564 174.741 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -85.22 59.01 5.17 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 122.534 2.156 . . . . 0.0 111.624 -171.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -98.46 -10.01 24.25 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 106.392 -1.707 . . . . 0.0 106.392 162.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -84.25 -24.87 29.78 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 125.905 1.682 . . . . 0.0 108.111 171.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.17 -33.58 17.16 Favored Glycine 0 C--N 1.354 1.582 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 175.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -91.79 17.83 8.51 Favored 'General case' 0 C--N 1.353 0.761 0 C-N-CA 125.041 1.337 . . . . 0.0 110.214 -178.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.6 tp -72.0 -27.56 27.62 Favored 'Isoleucine or valine' 0 C--N 1.359 0.986 0 C-N-CA 124.509 1.124 . . . . 0.0 111.674 -172.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -71.07 -36.2 72.19 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 124.68 1.192 . . . . 0.0 110.096 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 89.3 t -75.97 -31.8 22.51 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 C-N-CA 125.357 1.463 . . . . 0.0 110.255 -177.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -69.65 -31.1 69.0 Favored 'General case' 0 CA--C 1.51 -0.577 0 C-N-CA 125.082 1.353 . . . . 0.0 111.25 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.9 t -74.08 -36.43 44.31 Favored 'Isoleucine or valine' 0 C--N 1.355 0.838 0 C-N-CA 124.477 1.111 . . . . 0.0 109.166 177.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -65.88 -52.81 46.95 Favored 'General case' 0 C--N 1.357 0.934 0 C-N-CA 123.575 0.75 . . . . 0.0 111.39 -178.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.3 p30 -79.55 -5.68 55.42 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 113.313 0.856 . . . . 0.0 113.313 -173.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -75.42 -53.33 8.88 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 123.494 0.718 . . . . 0.0 109.382 175.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.78 -39.83 6.09 Favored Glycine 0 C--N 1.352 1.456 0 N-CA-C 111.988 -0.445 . . . . 0.0 111.988 -172.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -96.87 -42.03 8.15 Favored 'General case' 0 CA--C 1.5 -0.968 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -168.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 73.92 142.95 0.07 Allowed 'General case' 0 N--CA 1.441 -0.905 0 C-N-CA 127.227 2.211 . . . . 0.0 112.914 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.6 mm 60.92 66.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.011 0 C-N-CA 126.935 2.094 . . . . 0.0 108.642 -171.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.562 ' CD2' ' H ' ' A' ' 24' ' ' HIS . 67.8 t60 60.64 -134.94 0.69 Allowed 'General case' 0 C--N 1.359 1.01 0 C-N-CA 125.855 1.662 . . . . 0.0 109.727 -173.365 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.562 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 55.3 t-80 -92.84 112.92 25.04 Favored 'General case' 0 N--CA 1.437 -1.083 0 N-CA-C 105.337 -2.097 . . . . 0.0 105.337 174.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.366 1.311 0 CA-C-N 116.407 -0.36 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.016 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -83.03 132.71 35.12 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 126.644 1.978 . . . . 0.0 108.009 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -154.31 -82.11 0.08 Allowed 'General case' 0 N--CA 1.434 -1.252 0 N-CA-C 103.044 -2.947 . . . . 0.0 103.044 174.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -100.11 -36.09 9.45 Favored 'General case' 0 CA--C 1.503 -0.841 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 174.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.3 mp -80.22 134.71 55.18 Favored Pre-proline 0 N--CA 1.44 -0.934 0 C-N-CA 125.233 1.413 . . . . 0.0 108.751 -174.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -69.41 96.65 0.57 Allowed 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 123.447 2.764 . . . . 0.0 110.815 165.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -108.0 -60.7 1.68 Allowed 'General case' 0 CA--C 1.496 -1.115 0 N-CA-C 105.474 -2.047 . . . . 0.0 105.474 175.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -93.83 4.34 54.07 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 125.203 1.401 . . . . 0.0 109.169 175.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.97 -33.89 7.98 Favored Glycine 0 C--N 1.352 1.435 0 N-CA-C 108.009 -2.037 . . . . 0.0 108.009 168.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -90.48 -3.9 57.33 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 124.327 1.051 . . . . 0.0 111.004 -177.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.5 tp -78.15 -21.97 13.53 Favored 'Isoleucine or valine' 0 C--N 1.359 1.0 0 C-N-CA 123.561 0.745 . . . . 0.0 109.574 179.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -72.96 -33.83 66.11 Favored 'General case' 0 C--N 1.359 0.983 0 C-N-CA 126.127 1.771 . . . . 0.0 108.973 177.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.2 t -72.48 -22.45 20.52 Favored 'Isoleucine or valine' 0 C--N 1.356 0.86 0 C-N-CA 125.651 1.58 . . . . 0.0 110.574 -175.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -71.7 -40.34 69.57 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 124.14 0.976 . . . . 0.0 110.346 177.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.6 t -74.4 -33.28 33.03 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 C-N-CA 125.368 1.467 . . . . 0.0 109.19 -179.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -67.39 -45.85 75.01 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 125.076 1.351 . . . . 0.0 110.109 -179.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -76.94 -18.17 58.44 Favored 'General case' 0 C--N 1.355 0.818 0 C-N-CA 124.271 1.028 . . . . 0.0 111.272 -176.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -75.81 -42.23 50.49 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 123.796 0.838 . . . . 0.0 109.661 178.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.63 -20.02 60.75 Favored Glycine 0 C--N 1.354 1.569 0 C-N-CA 123.565 0.602 . . . . 0.0 111.697 -177.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -84.58 -69.53 0.64 Allowed 'General case' 0 CA--C 1.503 -0.851 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 -179.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -85.96 112.88 21.61 Favored 'General case' 0 N--CA 1.435 -1.22 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.1 mm -90.31 -61.84 1.81 Allowed 'Isoleucine or valine' 0 CA--C 1.497 -1.096 0 N-CA-C 106.062 -1.829 . . . . 0.0 106.062 -178.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -92.89 -176.55 4.24 Favored 'General case' 0 N--CA 1.432 -1.36 0 C-N-CA 126.2 1.8 . . . . 0.0 108.719 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -82.52 119.73 24.6 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.367 1.353 0 CA-C-N 116.302 -0.408 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -84.41 -72.72 0.46 Allowed 'General case' 0 C--N 1.355 0.811 0 N-CA-C 106.633 -1.618 . . . . 0.0 106.633 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -98.24 90.0 4.68 Favored 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 105.095 -2.187 . . . . 0.0 105.095 174.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -137.23 71.56 1.41 Allowed 'General case' 0 N--CA 1.438 -1.068 0 N-CA-C 104.441 -2.429 . . . . 0.0 104.441 -178.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.0 mt -125.5 159.17 61.74 Favored Pre-proline 0 N--CA 1.442 -0.857 0 N-CA-C 105.596 -2.002 . . . . 0.0 105.596 177.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -75.87 88.98 1.26 Allowed 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 123.231 2.621 . . . . 0.0 108.916 167.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -80.01 -27.0 39.63 Favored 'General case' 0 CA--C 1.5 -0.974 0 C-N-CA 124.144 0.977 . . . . 0.0 110.549 -173.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -78.27 -31.21 48.91 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 124.851 1.26 . . . . 0.0 108.372 174.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.19 -26.73 73.85 Favored Glycine 0 C--N 1.354 1.56 0 C-N-CA 123.977 0.799 . . . . 0.0 111.882 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -80.2 -8.98 59.69 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 124.023 0.929 . . . . 0.0 111.652 -179.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.1 mt -79.74 -42.53 22.6 Favored 'Isoleucine or valine' 0 C--N 1.358 0.953 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 179.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -70.71 -33.28 70.71 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 123.305 0.642 . . . . 0.0 110.846 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 52.1 t -68.25 -33.69 62.01 Favored 'Isoleucine or valine' 0 C--N 1.357 0.891 0 C-N-CA 125.099 1.36 . . . . 0.0 110.83 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -65.55 -38.1 88.6 Favored 'General case' 0 N--CA 1.441 -0.902 0 C-N-CA 125.58 1.552 . . . . 0.0 111.904 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.6 t -71.43 -38.44 68.66 Favored 'Isoleucine or valine' 0 C--N 1.355 0.831 0 C-N-CA 125.202 1.401 . . . . 0.0 109.758 -179.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -68.57 -42.48 78.25 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 123.883 0.873 . . . . 0.0 110.538 -178.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -72.01 -32.17 66.91 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 125.498 1.519 . . . . 0.0 110.729 -175.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -70.47 -35.25 73.19 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 124.69 1.196 . . . . 0.0 110.168 179.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.51 -51.59 8.18 Favored Glycine 0 C--N 1.355 1.593 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -149.17 -82.65 0.11 Allowed 'General case' 0 N--CA 1.439 -1.004 0 N-CA-C 106.274 -1.75 . . . . 0.0 106.274 -178.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.497 ' CD2' ' H ' ' A' ' 22' ' ' ILE . 54.8 t60 -155.15 -176.1 5.77 Favored 'General case' 0 N--CA 1.433 -1.3 0 N-CA-C 105.889 -1.893 . . . . 0.0 105.889 -176.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.497 ' H ' ' CD2' ' A' ' 21' ' ' HIS . 2.0 mp -98.39 52.16 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.769 0 N-CA-C 105.997 -1.853 . . . . 0.0 105.997 -177.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 22.9 p80 -77.88 -34.25 51.65 Favored 'General case' 0 N--CA 1.439 -1.001 0 C-N-CA 125.407 1.483 . . . . 0.0 108.78 173.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -79.24 -58.78 3.05 Favored 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 124.311 1.044 . . . . 0.0 108.692 176.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.368 1.406 0 O-C-N 123.159 0.287 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_