data_2nau_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 2nau _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 ' 2' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.868 0.366 . . . . 73.13 110.939 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -81.69 -36.74 28.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 73.34 110.885 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.9 tt -80.97 -27.96 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 73.35 111.109 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.8 t -77.2 -30.55 54.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 75.32 111.114 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 t -81.2 -35.15 31.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 72.24 111.141 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.1 tt -74.31 -31.61 29.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 72.3 111.116 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -80.61 -23.84 39.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 74.23 110.878 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -79.82 -33.08 40.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 74.01 110.935 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.0 -27.02 66.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 75.54 110.943 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -108.61 42.29 1.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 63.4 111.102 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.79 -28.27 14.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 70.3 110.906 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -32.97 73.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 73.43 110.933 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 pp -67.61 -24.95 65.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.909 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 71.11 111.12 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.838 0.352 . . . . 74.41 110.932 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.65 -19.67 58.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 74.44 110.881 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.4 tt -80.04 -22.36 11.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 71.3 111.147 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.6 p -75.51 -38.56 59.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 63.21 111.106 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.7 t -74.8 -37.56 62.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.416 . . . . 74.22 111.172 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.8 tt -73.41 -31.68 34.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 72.24 111.156 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -80.68 -23.85 39.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 64.45 110.928 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -79.77 -33.09 40.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 65.01 110.92 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 pp -59.98 -27.57 66.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 73.03 110.884 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -116.92 50.56 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 74.21 111.095 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -92.38 -26.58 17.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 74.33 110.849 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -60.05 -32.92 71.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 74.34 110.902 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 pp -67.63 -25.02 65.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 71.44 110.892 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 72.54 111.125 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.862 0.363 . . . . 74.55 110.917 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -81.78 -36.66 28.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 73.32 110.891 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.4 tt -81.05 -27.88 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 75.4 111.118 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.8 t -77.25 -30.5 54.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 73.3 111.147 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.1 t -81.22 -35.05 31.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 74.35 111.153 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.1 tt -74.29 -31.46 28.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 74.44 111.109 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -80.41 -25.63 38.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 72.32 110.854 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -79.52 -28.59 41.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 61.21 110.923 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.4 mt -69.75 -26.14 64.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 74.13 110.93 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.5 25.35 4.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 72.1 111.115 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.35 -29.34 23.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 74.52 110.897 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -79.98 -33.3 39.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 75.31 110.896 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 66.8 mt -67.88 -24.98 65.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 74.15 110.883 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 75.03 111.149 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.874 0.369 . . . . 74.42 110.926 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -81.73 -36.75 28.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 71.55 110.835 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.4 tt -81.02 -27.91 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 73.54 111.11 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.8 t -77.15 -30.59 55.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 70.32 111.151 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 t -81.19 -35.17 31.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 64.3 111.15 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.1 tt -74.27 -31.41 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 73.25 111.104 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.43 -25.56 38.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 75.14 110.875 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -78.15 -32.81 50.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 74.44 110.857 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.5 mt -79.93 -26.03 40.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 72.45 110.894 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -116.67 56.05 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 74.21 111.093 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -85.51 -25.53 26.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 75.34 110.88 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.94 -31.98 70.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 74.44 110.915 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 pp -69.66 -33.24 72.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 65.22 110.917 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 70.54 111.097 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.2 t80 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.868 0.366 . . . . 73.31 110.95 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -60.77 -19.66 59.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 73.41 110.92 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.3 tt -79.69 -21.8 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 75.21 111.108 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.4 p -76.34 -38.4 55.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 75.31 111.16 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.8 t -74.97 -36.9 62.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 74.44 111.123 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.8 tt -72.89 -31.26 35.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 74.35 111.163 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -80.24 -25.78 39.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 74.5 110.84 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -79.12 -32.24 44.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 72.32 110.845 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.2 mt -78.33 -29.46 47.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 75.4 110.904 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -112.15 53.76 0.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 74.34 111.117 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.64 24.05 5.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 74.55 110.855 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.53 -28.22 41.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 75.1 110.89 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 pp -60.27 -37.35 80.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 73.41 110.92 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.1 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 71.15 111.143 179.982 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.888 0.375 . . . . 64.33 110.974 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -81.73 -36.72 28.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 72.33 110.895 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.3 tt -81.02 -27.83 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 74.43 111.153 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.8 t -77.3 -30.46 54.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 72.5 111.16 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.1 t -81.21 -35.14 31.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 73.42 111.137 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.1 tt -74.32 -31.34 28.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 73.4 111.162 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -80.47 -25.56 38.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 75.21 110.878 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.06 -29.98 60.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 75.41 110.922 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -41.27 90.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 74.4 110.923 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -119.81 50.2 1.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 72.33 111.122 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.67 24.13 5.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 73.0 110.862 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.2 pttt -79.75 -27.2 40.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 75.43 110.921 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 pp -60.31 -36.12 77.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 75.13 110.93 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.7 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 73.21 111.151 179.958 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.817 0.341 . . . . 74.51 110.918 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -81.59 -35.76 29.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 74.33 110.897 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.5 tt -80.81 -28.87 11.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 75.24 111.156 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.0 t -76.68 -31.17 57.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 74.11 111.157 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.8 t -81.18 -35.44 31.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 72.24 111.143 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.1 tt -74.2 -31.44 29.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 71.32 111.141 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -80.48 -25.51 38.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 73.11 110.858 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -77.88 -24.93 48.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 72.01 110.854 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 tp -80.16 -37.14 34.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 74.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -101.12 26.44 7.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 74.12 111.074 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.33 -29.28 47.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 74.32 110.895 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -32.96 62.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 72.43 110.859 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.5 mt -67.29 -24.92 65.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 62.41 110.914 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 73.31 111.174 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.842 0.353 . . . . 75.41 110.889 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -59.91 -19.69 53.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 71.22 110.88 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.0 tt -79.88 -21.85 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 74.34 111.143 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.2 p -75.65 -38.77 58.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 74.54 111.143 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.5 t -74.77 -37.39 62.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 73.32 111.117 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.8 tt -73.39 -31.72 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 74.34 111.094 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -80.64 -23.9 39.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 75.13 110.864 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -79.74 -33.16 41.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 63.4 110.885 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.97 -26.93 66.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 64.3 110.896 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -107.6 52.18 0.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 73.31 111.074 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.8 ppt_? -101.41 24.02 10.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 74.43 110.872 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.98 -32.95 74.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 71.22 110.866 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -59.93 -29.26 68.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 75.01 110.928 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 74.22 111.145 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.839 0.352 . . . . 73.43 110.954 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -81.73 -36.61 28.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 72.22 110.914 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.4 tt -81.04 -27.98 10.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 72.43 111.134 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.9 t -77.24 -30.51 54.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 74.23 111.163 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.2 t -81.17 -35.21 31.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 65.21 111.118 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.2 tt -74.33 -31.36 28.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 74.14 111.084 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -80.52 -25.64 38.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 71.53 110.841 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -77.34 -28.82 53.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 55.11 110.902 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.4 mt -79.98 -30.2 39.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 74.33 110.935 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.72 -28.8 23.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 75.45 111.139 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 68.0 mtt-85 -52.03 -53.07 46.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 73.44 110.894 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.1 ttmm -73.92 -30.21 62.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 75.44 110.914 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.32 -26.09 67.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 75.44 110.904 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 73.43 111.126 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.852 0.358 . . . . 70.12 110.927 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -59.95 -20.72 59.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 74.1 110.844 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.3 tt -59.94 -23.85 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 70.0 111.08 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.1 t -74.46 -32.07 62.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 73.43 111.116 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.7 p -77.72 -40.27 41.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 73.04 111.126 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.2 tt -71.24 -31.4 43.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 73.23 111.138 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -80.35 -25.74 39.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 73.33 110.864 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -75.31 -24.91 57.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 73.53 110.92 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 tp -80.22 -37.1 33.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 75.51 110.849 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.32 27.8 7.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 63.12 111.097 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -28.19 68.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 75.11 110.897 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 pttp -72.91 -31.97 65.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 74.23 110.929 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 72.9 mt -67.79 -35.67 79.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 74.34 110.917 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 74.34 111.118 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.877 0.37 . . . . 73.12 110.935 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.91 -18.27 55.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 74.4 110.893 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.8 tt -61.48 -19.2 20.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 73.43 111.071 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.4 t -82.2 -35.47 28.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 64.11 111.177 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.8 t -82.26 -25.95 33.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 72.52 111.169 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.2 tt -78.65 -31.92 15.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 75.25 111.153 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -80.45 -25.47 38.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 72.42 110.844 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -79.6 -29.28 41.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 75.34 110.852 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.5 mt -78.78 -28.16 44.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 74.51 110.907 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.59 40.64 1.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 71.35 111.114 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -108.4 -31.43 7.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 72.42 110.853 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -32.96 72.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 74.31 110.886 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.0 pp -67.1 -25.0 66.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 75.23 110.948 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 70.23 111.164 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.825 0.345 . . . . 75.4 110.945 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -60.7 -19.69 59.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 72.44 110.87 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.4 tt -80.06 -22.35 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 74.24 111.103 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.2 p -75.4 -38.7 59.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 65.11 111.115 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.7 t -74.79 -37.5 62.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 75.43 111.203 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.8 tt -73.4 -31.66 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 72.41 111.164 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 49.8 t60 -80.77 -23.82 39.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 63.53 110.836 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -79.78 -33.15 40.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 71.11 110.894 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.98 -28.62 67.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 74.03 110.896 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -118.98 49.17 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 64.34 111.116 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.9 -29.07 7.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 72.53 110.874 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -66.11 -40.24 90.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 74.01 110.892 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 pp -65.07 -23.6 67.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 74.32 110.905 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 73.31 111.177 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.849 0.357 . . . . 75.11 110.896 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -81.49 -35.81 30.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 74.54 110.925 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.4 tt -80.77 -28.96 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 65.3 111.126 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.0 t -76.65 -31.19 57.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 72.03 111.141 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.8 t -81.09 -35.51 31.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 74.45 111.204 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.1 tt -74.24 -31.62 29.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 71.12 111.105 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -80.59 -23.89 39.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 64.51 110.886 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -79.79 -33.1 40.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 74.34 110.88 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.95 -25.81 65.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.475 . . . . 71.11 110.928 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.62 30.65 2.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 73.14 111.099 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -26.15 33.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 71.54 110.839 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.9 -29.06 68.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 74.51 110.926 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 pp -70.21 -23.79 63.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 71.24 110.952 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 72.41 111.126 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 19.9 t80 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.861 0.362 . . . . 70.41 110.945 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -81.76 -36.7 28.23 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.124 -0.489 . . . . 73.22 110.889 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.4 tt -80.99 -27.93 11.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 75.33 111.096 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.8 t -77.21 -30.56 54.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 72.54 111.117 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 t -81.25 -35.12 31.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 74.24 111.113 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.1 tt -74.27 -31.43 28.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 64.31 111.138 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -80.41 -25.61 38.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 71.21 110.877 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 -75.07 -24.94 58.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 74.42 110.914 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 tp -80.15 -37.09 34.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 75.43 110.92 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -97.76 35.13 1.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 64.52 111.09 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 ptt180 -54.77 -28.29 47.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 74.31 110.893 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -67.62 -40.21 84.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 74.33 110.874 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.5 mt -60.29 -39.7 87.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 75.0 110.924 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 53.0 111.125 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.806 0.336 . . . . 74.32 110.905 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -60.02 -20.71 59.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 63.23 110.887 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.3 tt -59.95 -23.81 27.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 75.43 111.123 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.2 t -74.24 -32.13 62.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 72.45 111.134 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.1 p -77.5 -40.62 42.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 75.04 111.12 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.2 tt -71.05 -31.38 44.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 75.21 111.187 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -80.37 -25.77 38.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 73.35 110.853 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.21 -24.94 59.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 74.12 110.922 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 tp -80.11 -37.15 34.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 71.12 110.91 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -100.39 34.21 2.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 75.45 111.087 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.31 -26.5 15.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 71.43 110.892 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -67.07 -32.55 73.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 74.21 110.892 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 pp -67.93 -34.77 77.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 73.22 110.917 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 72.32 111.124 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.5 t80 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.799 0.333 . . . . 75.12 110.888 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -60.47 -19.51 56.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 74.31 110.91 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.3 tt -59.72 -19.35 16.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 65.24 111.14 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.2 t -81.48 -34.19 31.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 74.03 111.159 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.14 -27.74 35.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 74.24 111.118 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.8 tt -78.67 -31.44 15.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 75.45 111.139 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -80.65 -25.34 38.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 73.33 110.83 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -79.29 -28.25 42.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 64.31 110.921 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.0 mt -77.14 -34.28 56.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 75.13 110.903 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -98.57 37.12 1.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 74.25 111.098 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.05 -29.61 12.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 74.45 110.883 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.8 ptpt -79.27 -28.42 42.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 74.33 110.855 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.1 mt -60.2 -37.53 80.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 75.33 110.899 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.1 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 63.24 111.136 179.953 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 11.7 t80 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.802 0.334 . . . . 64.33 110.9 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -81.71 -36.71 28.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 73.22 110.927 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.4 tt -80.97 -27.91 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 73.4 111.129 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.8 t -77.24 -30.5 54.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 73.42 111.186 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 t -81.25 -35.08 31.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 72.12 111.161 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.1 tt -74.33 -31.37 28.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 74.33 111.091 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.45 -25.59 38.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 72.0 110.877 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -78.65 -24.94 44.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 71.53 110.879 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 tp -80.15 -37.09 34.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 75.33 110.941 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -115.4 46.05 1.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 72.13 111.112 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -56.4 -25.09 48.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 74.52 110.855 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -59.92 -32.24 70.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 75.3 110.889 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.6 pp -68.94 -23.77 64.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 74.45 110.86 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 73.41 111.181 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.856 0.36 . . . . 74.13 110.905 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -60.93 -18.32 56.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 71.43 110.863 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.9 tt -61.47 -19.17 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 73.22 111.15 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.4 t -82.19 -35.51 28.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.48 . . . . 65.34 111.119 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.8 t -82.24 -26.01 33.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 74.13 111.14 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.3 tt -78.66 -32.07 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 75.24 111.16 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -80.56 -23.55 39.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 74.53 110.863 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -80.05 -33.0 39.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 74.12 110.898 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 pp -59.96 -27.8 67.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 75.12 110.916 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -110.77 49.8 0.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 75.42 111.117 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.3 ptt-85 -90.91 -26.09 19.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 75.43 110.921 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.03 -32.36 70.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 74.42 110.937 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 pp -68.63 -34.49 75.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 74.12 110.908 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 72.53 111.149 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.858 0.361 . . . . 75.42 110.945 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -59.99 -24.56 64.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 72.31 110.883 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.0 tt -66.55 -21.41 28.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 74.44 111.105 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.4 p -73.2 -39.49 65.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 75.41 111.135 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.9 p -72.89 -40.69 65.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 62.34 111.144 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.9 tt -71.81 -31.47 41.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 74.23 111.163 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -80.54 -25.91 38.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 75.11 110.82 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -78.9 -31.7 45.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 74.11 110.882 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.5 mt -79.58 -26.89 41.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 73.13 110.889 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -104.5 31.04 4.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 70.5 111.086 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? -96.61 -27.15 14.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 73.44 110.896 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -68.42 -32.4 72.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 74.31 110.881 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.6 pp -71.05 -19.68 62.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 75.51 110.907 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 73.31 111.183 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.871 0.367 . . . . 73.22 110.912 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.94 -18.3 56.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 74.04 110.855 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.8 tt -61.4 -19.25 20.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 71.23 111.154 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.4 t -82.15 -35.54 28.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 75.3 111.15 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.8 t -82.2 -25.98 33.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 74.31 111.121 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.3 tt -78.66 -31.93 15.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 74.31 111.124 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -80.43 -25.5 38.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 74.41 110.839 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -78.48 -32.09 48.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 75.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.1 mt -80.04 -33.15 39.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 71.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -102.17 32.71 3.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 71.41 111.096 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -32.53 64.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 73.44 110.903 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -32.92 74.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 73.13 110.894 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.6 mt -69.61 -23.78 63.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 70.01 110.912 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.165 -0.47 . . . . 65.43 111.157 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.782 0.325 . . . . 72.04 110.885 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -77.44 -19.07 56.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 73.13 110.939 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -81.69 -36.74 28.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 73.34 110.885 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.9 tt -80.97 -27.96 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 73.35 111.109 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.8 t -77.2 -30.55 54.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 75.32 111.114 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 t -81.2 -35.15 31.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 72.24 111.141 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.1 tt -74.31 -31.61 29.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 72.3 111.116 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -80.61 -23.84 39.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 74.23 110.878 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -79.82 -33.08 40.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 74.01 110.935 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.0 -27.02 66.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 75.54 110.943 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -108.61 42.29 1.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 63.4 111.102 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.79 -28.27 14.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 70.3 110.906 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -32.97 73.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 73.43 110.933 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 pp -67.61 -24.95 65.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.909 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.68 -28.71 45.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 71.11 111.12 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -80.67 -31.15 36.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 74.41 110.848 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -71.97 -40.05 68.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 75.53 110.937 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 pp -80.03 -26.26 39.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 75.11 110.928 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.59 -25.33 66.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 75.12 111.074 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.1 -39.45 72.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 73.11 110.842 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -75.66 70.29 2.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 72.22 110.866 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -119.66 -50.22 2.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 71.42 110.881 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.27 -29.86 25.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 75.51 111.128 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.89 21.57 25.0 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.738 -0.744 . . . . 65.1 112.49 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -112.94 37.07 3.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.865 0.364 . . . . 63.52 111.092 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -115.36 -30.51 6.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 74.42 111.16 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 mp -51.93 -75.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 72.13 110.954 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.8 ttp85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 74.32 110.871 179.907 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.763 0.316 . . . . 64.45 110.919 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -80.0 -19.0 48.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 74.41 110.932 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.65 -19.67 58.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 74.44 110.881 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.4 tt -80.04 -22.36 11.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 71.3 111.147 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.6 p -75.51 -38.56 59.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 63.21 111.106 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.7 t -74.8 -37.56 62.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.416 . . . . 74.22 111.172 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.8 tt -73.41 -31.68 34.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 72.24 111.156 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -80.68 -23.85 39.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 64.45 110.928 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -79.77 -33.09 40.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 65.01 110.92 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 pp -59.98 -27.57 66.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 73.03 110.884 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -116.92 50.56 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 74.21 111.095 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -92.38 -26.58 17.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 74.33 110.849 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -60.05 -32.92 71.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 74.34 110.902 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 pp -67.63 -25.02 65.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 71.44 110.892 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.65 -28.65 45.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 72.54 111.125 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -80.65 -31.26 36.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 73.32 110.878 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -71.86 -40.13 69.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 74.32 110.887 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 pp -80.07 -26.88 39.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 74.54 110.932 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.3 -26.17 68.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 72.21 111.085 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.48 101.01 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 75.31 110.846 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.62 30.28 3.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 74.02 110.89 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -98.4 26.32 5.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 74.52 110.899 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.98 -30.9 56.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 75.52 111.097 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.57 26.82 21.45 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.744 -0.741 . . . . 75.3 112.478 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.2 36.28 3.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.883 0.373 . . . . 63.12 111.102 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.6 t -62.58 -30.27 71.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 64.12 111.152 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 mt -77.84 -29.88 50.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 73.51 110.903 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 75.43 110.891 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 54.5 mttt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.769 0.319 . . . . 72.44 110.876 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -79.57 -19.03 50.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 74.55 110.917 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -81.78 -36.66 28.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 73.32 110.891 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.4 tt -81.05 -27.88 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 75.4 111.118 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.8 t -77.25 -30.5 54.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 73.3 111.147 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.1 t -81.22 -35.05 31.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 74.35 111.153 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.1 tt -74.29 -31.46 28.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 74.44 111.109 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -80.41 -25.63 38.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 72.32 110.854 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -79.52 -28.59 41.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 61.21 110.923 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.4 mt -69.75 -26.14 64.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 74.13 110.93 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.5 25.35 4.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 72.1 111.115 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.35 -29.34 23.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 74.52 110.897 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -79.98 -33.3 39.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 75.31 110.896 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 66.8 mt -67.88 -24.98 65.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 74.15 110.883 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.57 -28.7 45.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 75.03 111.149 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -80.53 -31.6 36.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 72.22 110.898 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -71.62 -40.07 70.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 71.43 110.883 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 pp -78.29 -27.85 47.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 73.43 110.905 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.05 -25.33 65.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 71.3 111.102 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -53.3 -34.94 59.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 72.32 110.901 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.27 28.17 6.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 74.42 110.844 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -119.09 26.76 9.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 73.14 110.893 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -109.36 -28.35 9.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 75.54 111.105 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.32 20.94 45.3 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.774 -0.727 . . . . 51.04 112.453 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -112.63 25.26 11.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.838 0.351 . . . . 73.03 111.097 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.3 t -114.01 -26.51 8.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 74.24 111.116 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.01 87.38 2.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 70.31 110.9 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 73.22 110.886 179.935 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.3 mttp . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.751 0.31 . . . . 65.25 110.864 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -78.45 -19.1 53.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.263 -0.426 . . . . 74.42 110.926 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -81.73 -36.75 28.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 71.55 110.835 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.4 tt -81.02 -27.91 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 73.54 111.11 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.8 t -77.15 -30.59 55.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 70.32 111.151 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 t -81.19 -35.17 31.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 64.3 111.15 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.1 tt -74.27 -31.41 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 73.25 111.104 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.43 -25.56 38.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 75.14 110.875 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -78.15 -32.81 50.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 74.44 110.857 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.5 mt -79.93 -26.03 40.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 72.45 110.894 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -116.67 56.05 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 74.21 111.093 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -85.51 -25.53 26.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 75.34 110.88 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.94 -31.98 70.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 74.44 110.915 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 pp -69.66 -33.24 72.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 65.22 110.917 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -72.66 -27.41 62.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 70.54 111.097 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -79.84 -33.57 40.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 73.43 110.872 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -72.24 -39.12 68.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 73.42 110.858 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 pp -79.98 -26.07 40.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 73.31 110.906 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.33 -28.2 67.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 63.14 111.15 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.89 -47.66 82.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 74.11 110.839 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.63 70.32 2.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 74.1 110.913 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 -119.06 87.02 2.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 74.52 110.924 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -110.38 -30.88 7.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 74.13 111.108 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.41 40.96 2.35 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 72.11 112.49 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -111.38 41.82 1.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.871 0.367 . . . . 72.23 111.099 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -71.72 -54.85 8.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 62.11 111.09 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 83.2 mt -56.16 -74.95 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.254 -0.43 . . . . 75.25 110.923 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 75.31 110.868 179.968 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.788 0.328 . . . . 74.13 110.884 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -79.96 -19.04 48.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 73.31 110.95 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -60.77 -19.66 59.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 73.41 110.92 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.3 tt -79.69 -21.8 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 75.21 111.108 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.4 p -76.34 -38.4 55.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 75.31 111.16 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.8 t -74.97 -36.9 62.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 74.44 111.123 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.8 tt -72.89 -31.26 35.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 74.35 111.163 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -80.24 -25.78 39.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 74.5 110.84 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -79.12 -32.24 44.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 72.32 110.845 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.2 mt -78.33 -29.46 47.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 75.4 110.904 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -112.15 53.76 0.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 74.34 111.117 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.64 24.05 5.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 74.55 110.855 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.53 -28.22 41.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 75.1 110.89 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 pp -60.27 -37.35 80.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 73.41 110.92 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.1 p -60.04 -42.98 95.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 71.15 111.143 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.54 -28.73 41.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 72.34 110.891 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -59.84 -42.72 94.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 74.21 110.874 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 pp -76.85 -29.05 55.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 75.42 110.941 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.32 -37.02 74.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 72.54 111.124 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.2 ptt85 -84.96 -33.6 22.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 74.33 110.89 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -75.99 70.53 2.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 74.52 110.861 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -61.33 -71.63 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 74.35 110.89 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.84 -76.27 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 71.53 111.088 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.54 35.23 4.84 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 71.24 112.468 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.34 42.24 1.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.908 0.385 . . . . 65.32 111.136 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.4 t -106.21 -28.89 10.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 75.23 111.13 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.2 mt -79.79 -30.68 40.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 74.45 110.913 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 74.31 110.934 179.893 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 26.5 mttt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.749 0.309 . . . . 74.2 110.904 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -78.45 -19.03 54.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 64.33 110.974 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -81.73 -36.72 28.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 72.33 110.895 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.3 tt -81.02 -27.83 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 74.43 111.153 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.8 t -77.3 -30.46 54.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 72.5 111.16 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.1 t -81.21 -35.14 31.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 73.42 111.137 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.1 tt -74.32 -31.34 28.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 73.4 111.162 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -80.47 -25.56 38.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 75.21 110.878 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.06 -29.98 60.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 75.41 110.922 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -41.27 90.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 74.4 110.923 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -119.81 50.2 1.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 72.33 111.122 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.67 24.13 5.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 73.0 110.862 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.2 pttt -79.75 -27.2 40.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 75.43 110.921 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 pp -60.31 -36.12 77.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 75.13 110.93 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.7 p -59.98 -42.99 95.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 73.21 111.151 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -76.85 -30.03 56.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 75.0 110.805 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 48.6 mtp85 -72.13 -39.77 68.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 75.01 110.891 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 pp -79.15 -27.53 42.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 73.2 110.913 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.31 -26.36 68.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 63.33 111.068 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -108.15 -47.42 3.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 63.33 110.89 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.12 75.57 5.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 72.23 110.871 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -119.43 86.94 2.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 63.43 110.859 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -105.9 -30.98 9.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 74.5 111.094 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.79 27.9 13.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 63.14 112.411 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -100.15 34.33 2.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.914 0.387 . . . . 74.44 111.103 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.4 t -78.43 -32.53 48.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 73.22 111.133 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mt -70.08 -74.99 0.12 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 74.55 110.937 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 74.13 110.875 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.803 0.335 . . . . 73.35 110.893 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -80.04 -19.0 48.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 74.51 110.918 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -81.59 -35.76 29.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 74.33 110.897 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.5 tt -80.81 -28.87 11.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 75.24 111.156 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.0 t -76.68 -31.17 57.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 74.11 111.157 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.8 t -81.18 -35.44 31.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 72.24 111.143 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.1 tt -74.2 -31.44 29.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 71.32 111.141 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -80.48 -25.51 38.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 73.11 110.858 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -77.88 -24.93 48.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 72.01 110.854 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 tp -80.16 -37.14 34.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 74.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -101.12 26.44 7.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 74.12 111.074 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.33 -29.28 47.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 74.32 110.895 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -32.96 62.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 72.43 110.859 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.5 mt -67.29 -24.92 65.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 62.41 110.914 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.7 -28.73 45.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 73.31 111.174 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -80.59 -31.15 36.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 74.12 110.849 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -72.06 -40.05 68.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 75.34 110.889 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 pp -80.05 -26.14 39.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 74.2 110.915 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.07 -27.2 68.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 74.42 111.122 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.58 94.69 1.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 72.23 110.888 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.97 39.82 1.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 75.53 110.911 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -118.12 -33.02 4.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 74.21 110.942 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -106.3 -25.62 11.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 71.13 111.106 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -108.3 38.45 3.33 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 75.32 112.456 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -94.67 -26.91 16.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 72.03 111.093 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.8 t -62.82 -26.08 68.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 73.32 111.106 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 29.3 mt -65.06 -74.92 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 73.43 110.927 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.2 mtm-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 72.11 110.917 179.945 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 68.1 mttt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.778 0.323 . . . . 75.25 110.919 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.29 -18.79 60.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 75.41 110.889 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -59.91 -19.69 53.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 71.22 110.88 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.0 tt -79.88 -21.85 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 74.34 111.143 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.2 p -75.65 -38.77 58.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 74.54 111.143 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.5 t -74.77 -37.39 62.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 73.32 111.117 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.8 tt -73.39 -31.72 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 74.34 111.094 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -80.64 -23.9 39.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 75.13 110.864 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -79.74 -33.16 41.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 63.4 110.885 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.97 -26.93 66.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 64.3 110.896 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -107.6 52.18 0.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 73.31 111.074 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.8 ppt_? -101.41 24.02 10.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 74.43 110.872 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.98 -32.95 74.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 71.22 110.866 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -59.93 -29.26 68.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 75.01 110.928 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -74.79 -27.72 60.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 74.22 111.145 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -80.3 -34.95 36.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 72.24 110.887 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.6 mtt-85 -68.55 -40.24 80.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 74.04 110.898 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 pp -80.08 -26.7 39.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 74.35 110.916 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.54 -37.17 80.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 73.43 111.125 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -53.78 103.29 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 74.02 110.869 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.9 -5.13 57.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 74.13 110.888 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.56 -46.93 6.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 71.51 110.909 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.07 -30.42 43.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 74.31 111.13 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.53 -32.1 83.08 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.702 -0.761 . . . . 63.52 112.528 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.81 34.7 3.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.363 . . . . 53.31 111.093 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.2 t -54.53 -27.35 37.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 74.24 111.122 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.08 -30.72 49.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 75.44 110.91 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.8 mtt-85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 73.52 110.862 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.74 0.305 . . . . 71.43 110.898 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -79.78 -19.05 49.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 73.43 110.954 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -81.73 -36.61 28.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 72.22 110.914 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.4 tt -81.04 -27.98 10.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 72.43 111.134 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.9 t -77.24 -30.51 54.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 74.23 111.163 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.2 t -81.17 -35.21 31.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 65.21 111.118 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.2 tt -74.33 -31.36 28.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 74.14 111.084 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -80.52 -25.64 38.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 71.53 110.841 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -77.34 -28.82 53.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 55.11 110.902 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.4 mt -79.98 -30.2 39.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 74.33 110.935 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.72 -28.8 23.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 75.45 111.139 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 68.0 mtt-85 -52.03 -53.07 46.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 73.44 110.894 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.1 ttmm -73.92 -30.21 62.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 75.44 110.914 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.32 -26.09 67.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 75.44 110.904 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.79 -29.83 56.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 73.43 111.126 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -80.12 -32.52 39.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 73.21 110.901 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.8 -39.84 76.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 74.43 110.895 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 pp -79.73 -32.57 41.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 71.31 110.931 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.33 -34.76 77.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 63.55 111.102 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.18 103.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 75.54 110.891 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.36 62.97 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 74.05 110.839 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -56.0 -72.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 75.1 110.934 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.67 -76.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 71.04 111.12 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.31 23.66 15.53 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.77 -0.729 . . . . 74.13 112.467 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -93.87 45.28 1.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.879 0.371 . . . . 62.21 111.123 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.3 t -112.67 -29.55 7.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 75.04 111.145 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 39.9 mt -91.44 -31.09 16.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 73.55 110.905 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 74.23 110.862 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.771 0.319 . . . . 74.45 110.893 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -70.53 -19.09 62.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 70.12 110.927 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -59.95 -20.72 59.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 74.1 110.844 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.3 tt -59.94 -23.85 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 70.0 111.08 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.1 t -74.46 -32.07 62.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 73.43 111.116 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.7 p -77.72 -40.27 41.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 73.04 111.126 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.2 tt -71.24 -31.4 43.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 73.23 111.138 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -80.35 -25.74 39.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 73.33 110.864 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -75.31 -24.91 57.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 73.53 110.92 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 tp -80.22 -37.1 33.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 75.51 110.849 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.32 27.8 7.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 63.12 111.097 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -28.19 68.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 75.11 110.897 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 pttp -72.91 -31.97 65.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 74.23 110.929 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 72.9 mt -67.79 -35.67 79.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 74.34 110.917 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.14 -27.39 64.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 74.34 111.118 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -79.63 -35.82 38.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 73.34 110.866 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.5 mmt85 -70.65 -39.68 73.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 73.53 110.828 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 pp -79.68 -26.43 40.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 72.24 110.924 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.32 -27.68 68.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 74.33 111.107 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.78 94.78 2.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 74.42 110.888 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -96.81 32.21 2.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 74.43 110.867 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -103.77 -41.06 6.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 73.22 110.9 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -109.04 -26.63 10.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 74.41 111.084 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -96.2 20.26 50.95 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.717 -0.754 . . . . 74.31 112.452 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.55 -25.51 64.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.895 0.379 . . . . 65.14 111.093 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.33 81.44 1.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 70.54 111.116 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.43 -28.05 65.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 73.43 110.95 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 71.21 110.876 179.956 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.6 mtpp . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.813 0.34 . . . . 73.33 110.875 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -75.62 -19.04 59.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 73.12 110.935 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.91 -18.27 55.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 74.4 110.893 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.8 tt -61.48 -19.2 20.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 73.43 111.071 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.4 t -82.2 -35.47 28.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 64.11 111.177 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.8 t -82.26 -25.95 33.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 72.52 111.169 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.2 tt -78.65 -31.92 15.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 75.25 111.153 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -80.45 -25.47 38.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 72.42 110.844 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -79.6 -29.28 41.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 75.34 110.852 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.5 mt -78.78 -28.16 44.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 74.51 110.907 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.59 40.64 1.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 71.35 111.114 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -108.4 -31.43 7.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 72.42 110.853 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -32.96 72.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 74.31 110.886 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.0 pp -67.1 -25.0 66.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 75.23 110.948 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.62 -28.74 45.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 70.23 111.164 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -80.56 -31.24 36.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 74.12 110.862 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -71.98 -40.04 68.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 75.13 110.878 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 pp -78.39 -26.07 46.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 74.25 110.893 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.96 -25.16 68.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 72.15 111.104 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -56.29 -28.46 58.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 55.12 110.876 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.41 31.21 5.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 74.41 110.892 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.1 m-20 -119.93 85.62 2.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 72.51 110.863 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -107.1 -27.48 10.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 74.44 111.097 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.83 -31.91 31.24 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 70.32 112.492 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.04 -27.58 45.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.881 0.372 . . . . 70.42 111.148 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.0 t -111.42 -37.64 5.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 73.33 111.166 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -119.91 86.66 2.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 72.02 110.889 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.6 ptt85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 74.43 110.878 179.945 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.754 0.311 . . . . 72.42 110.868 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -80.07 -18.88 48.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 75.4 110.945 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -60.7 -19.69 59.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 72.44 110.87 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.4 tt -80.06 -22.35 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 74.24 111.103 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.2 p -75.4 -38.7 59.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 65.11 111.115 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.7 t -74.79 -37.5 62.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 75.43 111.203 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.8 tt -73.4 -31.66 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 72.41 111.164 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 49.8 t60 -80.77 -23.82 39.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 63.53 110.836 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -79.78 -33.15 40.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 71.11 110.894 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.98 -28.62 67.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 74.03 110.896 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -118.98 49.17 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 64.34 111.116 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.9 -29.07 7.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 72.53 110.874 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -66.11 -40.24 90.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 74.01 110.892 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 pp -65.07 -23.6 67.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 74.32 110.905 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.76 -28.66 55.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 73.31 111.177 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -80.66 -39.14 27.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 73.24 110.858 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -61.02 -42.84 99.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 75.04 110.869 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 pp -79.55 -27.97 41.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 71.52 110.924 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.53 -35.23 80.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 74.12 111.073 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.44 96.74 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 75.14 110.869 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.7 ptt180 -106.72 32.54 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 74.45 110.889 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -97.22 -32.54 11.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 73.55 110.89 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.25 -31.43 72.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 72.35 111.127 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.47 24.4 28.89 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.781 -0.723 . . . . 75.11 112.499 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -97.58 40.48 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 71.41 111.104 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.27 -63.59 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 74.5 111.194 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.46 -74.98 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 74.25 110.9 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 72.22 110.836 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.808 0.337 . . . . 75.41 110.899 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -80.01 -19.12 48.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 75.11 110.896 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -81.49 -35.81 30.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 74.54 110.925 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.4 tt -80.77 -28.96 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 65.3 111.126 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.0 t -76.65 -31.19 57.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 72.03 111.141 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.8 t -81.09 -35.51 31.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 74.45 111.204 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.1 tt -74.24 -31.62 29.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 71.12 111.105 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -80.59 -23.89 39.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 64.51 110.886 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -79.79 -33.1 40.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 74.34 110.88 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.95 -25.81 65.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.475 . . . . 71.11 110.928 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.62 30.65 2.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 73.14 111.099 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -26.15 33.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 71.54 110.839 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.9 -29.06 68.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 74.51 110.926 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 pp -70.21 -23.79 63.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 71.24 110.952 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.71 -28.77 55.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 72.41 111.126 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -80.61 -39.12 28.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 70.14 110.857 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -60.99 -42.81 99.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 54.32 110.882 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 pp -79.28 -26.29 42.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 74.32 110.971 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.23 -37.29 72.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 52.15 111.133 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.8 mmt180 -52.52 -51.95 57.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 74.44 110.873 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -93.9 73.29 4.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 73.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 50.2 m-20 -63.44 -28.02 69.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 71.44 110.931 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.14 -28.48 32.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 73.21 111.144 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.33 -30.94 75.93 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.709 -0.758 . . . . 75.23 112.512 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -105.99 41.95 1.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.887 0.375 . . . . 73.23 111.124 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.3 t -94.23 20.46 8.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 72.53 111.098 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.9 tp -108.44 -33.57 7.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 73.02 110.941 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 74.24 110.862 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 17.3 mtmm . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.816 0.341 . . . . 75.3 110.907 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -78.95 -19.02 52.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 70.41 110.945 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -81.76 -36.7 28.23 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.124 -0.489 . . . . 73.22 110.889 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.4 tt -80.99 -27.93 11.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 75.33 111.096 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.8 t -77.21 -30.56 54.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 72.54 111.117 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 t -81.25 -35.12 31.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 74.24 111.113 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.1 tt -74.27 -31.43 28.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 64.31 111.138 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -80.41 -25.61 38.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 71.21 110.877 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 -75.07 -24.94 58.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 74.42 110.914 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 tp -80.15 -37.09 34.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 75.43 110.92 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -97.76 35.13 1.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 64.52 111.09 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 ptt180 -54.77 -28.29 47.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 74.31 110.893 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -67.62 -40.21 84.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 74.33 110.874 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.5 mt -60.29 -39.7 87.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 75.0 110.924 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -64.76 -27.74 69.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 53.0 111.125 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -80.14 -40.26 27.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 74.43 110.899 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.56 -42.87 97.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 74.45 110.871 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.9 mt -76.5 -32.11 58.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 72.03 110.913 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.62 -25.32 67.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 65.32 111.083 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.34 -36.64 71.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 74.54 110.887 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.03 28.77 6.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 73.14 110.911 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -118.55 -54.06 2.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 72.14 110.866 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.27 -30.55 71.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 62.42 111.101 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.35 -22.53 43.86 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.697 -0.763 . . . . 72.35 112.454 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.38 44.34 1.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.369 . . . . 70.13 111.057 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.88 80.8 1.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 71.31 111.179 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.3 mt -65.32 -31.54 72.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 75.02 110.899 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 73.42 110.873 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.765 0.317 . . . . 73.22 110.889 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -65.67 -19.06 65.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.267 -0.424 . . . . 74.32 110.905 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -60.02 -20.71 59.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 63.23 110.887 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.3 tt -59.95 -23.81 27.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 75.43 111.123 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.2 t -74.24 -32.13 62.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 72.45 111.134 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.1 p -77.5 -40.62 42.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 75.04 111.12 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.2 tt -71.05 -31.38 44.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 75.21 111.187 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -80.37 -25.77 38.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 73.35 110.853 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.21 -24.94 59.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 74.12 110.922 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 tp -80.11 -37.15 34.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 71.12 110.91 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -100.39 34.21 2.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 75.45 111.087 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.31 -26.5 15.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 71.43 110.892 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -67.07 -32.55 73.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 74.21 110.892 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 pp -67.93 -34.77 77.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 73.22 110.917 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.78 -27.43 63.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 72.32 111.124 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -79.65 -35.64 39.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 74.11 110.862 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 89.5 mtt-85 -69.17 -39.96 78.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 74.12 110.846 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.0 mt -78.61 -33.45 47.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 75.02 110.945 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.08 -33.39 72.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 74.25 111.097 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.69 -28.56 40.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 75.24 110.896 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -115.41 83.83 1.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 74.32 110.914 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -96.02 31.35 2.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 71.04 110.893 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -94.98 -25.48 16.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 61.02 111.145 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -103.28 -27.57 6.46 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.749 . . . . 72.42 112.486 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -95.69 29.28 2.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.881 0.372 . . . . 74.34 111.11 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.19 -53.89 48.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 71.45 111.134 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.2 mt -54.21 -31.83 54.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 71.24 110.939 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.8 ptt180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 74.03 110.879 179.931 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.1 tttt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.793 0.33 . . . . 74.44 110.868 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -64.18 -19.01 65.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 75.12 110.888 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -60.47 -19.51 56.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 74.31 110.91 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.3 tt -59.72 -19.35 16.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 65.24 111.14 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.2 t -81.48 -34.19 31.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 74.03 111.159 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.14 -27.74 35.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 74.24 111.118 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.8 tt -78.67 -31.44 15.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 75.45 111.139 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -80.65 -25.34 38.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 73.33 110.83 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -79.29 -28.25 42.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 64.31 110.921 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.0 mt -77.14 -34.28 56.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 75.13 110.903 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -98.57 37.12 1.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 74.25 111.098 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.05 -29.61 12.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 74.45 110.883 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.8 ptpt -79.27 -28.42 42.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 74.33 110.855 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.1 mt -60.2 -37.53 80.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 75.33 110.899 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.1 p -59.95 -43.02 95.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 63.24 111.136 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.79 -26.64 57.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 73.21 110.864 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.39 -39.61 53.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 72.42 110.875 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 pp -79.53 -26.38 41.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 75.24 110.924 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.63 -37.34 76.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 52.13 111.109 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -70.09 91.06 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 74.12 110.862 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.9 27.89 7.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 73.41 110.851 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -98.66 -36.34 9.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 75.21 110.913 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -106.25 -29.29 9.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 61.51 111.109 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.2 29.94 10.86 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.764 -0.731 . . . . 73.35 112.445 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.12 53.34 0.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.882 0.372 . . . . 74.13 111.11 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.4 t -67.72 -29.84 69.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 71.41 111.169 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.91 -31.13 68.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 72.25 110.94 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 71.33 110.834 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.1 mtpp . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.765 0.317 . . . . 71.5 110.904 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -79.57 -19.09 50.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 64.33 110.9 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -81.71 -36.71 28.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 73.22 110.927 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.4 tt -80.97 -27.91 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 73.4 111.129 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.8 t -77.24 -30.5 54.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 73.42 111.186 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 t -81.25 -35.08 31.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 72.12 111.161 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.1 tt -74.33 -31.37 28.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 74.33 111.091 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.45 -25.59 38.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 72.0 110.877 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -78.65 -24.94 44.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 71.53 110.879 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 tp -80.15 -37.09 34.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 75.33 110.941 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -115.4 46.05 1.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 72.13 111.112 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -56.4 -25.09 48.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 74.52 110.855 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -59.92 -32.24 70.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 75.3 110.889 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.6 pp -68.94 -23.77 64.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 74.45 110.86 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.63 -28.74 56.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 73.41 111.181 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -80.61 -39.22 27.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 61.33 110.848 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 -60.86 -42.86 98.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 75.24 110.896 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.4 mt -77.39 -32.6 54.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 75.54 110.899 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.01 -29.9 69.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 74.33 111.131 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -96.0 -44.07 7.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 71.31 110.855 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.52 77.54 3.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 73.12 110.884 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -107.88 26.38 10.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 71.14 110.858 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.14 -30.53 58.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 74.55 111.148 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.15 24.48 24.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.681 -0.771 . . . . 62.44 112.493 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.32 29.06 4.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 71.21 111.094 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.4 t -94.4 -25.63 16.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 75.23 111.122 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 58.0 mt -59.76 -26.32 65.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 74.21 110.918 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 75.25 110.914 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.1 tttm . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.798 0.332 . . . . 75.44 110.885 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -61.93 -18.99 62.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 74.13 110.905 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -60.93 -18.32 56.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 71.43 110.863 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.9 tt -61.47 -19.17 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 73.22 111.15 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.4 t -82.19 -35.51 28.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.48 . . . . 65.34 111.119 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.8 t -82.24 -26.01 33.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 74.13 111.14 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.3 tt -78.66 -32.07 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 75.24 111.16 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -80.56 -23.55 39.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 74.53 110.863 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -80.05 -33.0 39.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 74.12 110.898 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 pp -59.96 -27.8 67.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 75.12 110.916 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -110.77 49.8 0.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 75.42 111.117 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.3 ptt-85 -90.91 -26.09 19.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 75.43 110.921 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.03 -32.36 70.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 74.42 110.937 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 pp -68.63 -34.49 75.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 74.12 110.908 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.78 -27.36 62.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 72.53 111.149 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.47 -33.26 42.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 63.43 110.845 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -72.17 -39.79 68.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 74.32 110.905 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 pp -80.01 -26.29 39.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 73.4 110.925 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.07 -25.34 65.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 72.41 111.052 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.19 110.26 0.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 74.52 110.904 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.88 70.21 2.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 74.42 110.855 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -70.44 -74.11 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 71.53 110.927 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -120.07 -76.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 71.3 111.093 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.8 44.07 1.58 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.768 -0.73 . . . . 53.52 112.468 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.99 58.21 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 74.03 111.095 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.95 -52.42 5.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 74.21 111.12 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mt -102.98 -75.02 0.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.291 -0.413 . . . . 62.35 110.885 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.7 mtt-85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 73.55 110.883 179.965 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.1 tppt? . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.777 0.323 . . . . 72.22 110.887 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -63.96 -19.03 64.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 75.42 110.945 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -59.99 -24.56 64.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 72.31 110.883 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.0 tt -66.55 -21.41 28.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 74.44 111.105 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.4 p -73.2 -39.49 65.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 75.41 111.135 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.9 p -72.89 -40.69 65.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 62.34 111.144 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.9 tt -71.81 -31.47 41.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 74.23 111.163 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -80.54 -25.91 38.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 75.11 110.82 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -78.9 -31.7 45.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 74.11 110.882 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.5 mt -79.58 -26.89 41.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 73.13 110.889 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -104.5 31.04 4.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 70.5 111.086 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? -96.61 -27.15 14.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 73.44 110.896 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -68.42 -32.4 72.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 74.31 110.881 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.6 pp -71.05 -19.68 62.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 75.51 110.907 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.01 -33.05 39.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 73.31 111.183 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -82.04 -31.71 30.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 74.04 110.855 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -69.51 -31.44 69.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 74.32 110.89 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.56 -27.52 68.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 73.54 110.892 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.35 -31.01 72.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 70.35 111.087 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.45 106.77 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 72.05 110.87 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.15 35.72 2.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 75.15 110.855 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -98.08 -34.81 10.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 70.32 110.872 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -118.22 -29.72 5.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 72.14 111.057 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.54 26.34 18.42 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.786 -0.721 . . . . 52.55 112.476 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.53 -25.36 51.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.855 0.359 . . . . 74.31 111.088 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -100.71 78.5 1.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 73.35 111.104 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.65 -28.33 60.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 64.4 110.916 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 75.24 110.907 179.95 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 15.2 mttm . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.759 0.314 . . . . 74.42 110.928 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -70.62 -19.01 62.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.248 -0.433 . . . . 73.22 110.912 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.94 -18.3 56.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 74.04 110.855 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.8 tt -61.4 -19.25 20.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 71.23 111.154 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.4 t -82.15 -35.54 28.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 75.3 111.15 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.8 t -82.2 -25.98 33.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 74.31 111.121 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.3 tt -78.66 -31.93 15.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 74.31 111.124 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -80.43 -25.5 38.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 74.41 110.839 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -78.48 -32.09 48.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 75.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.1 mt -80.04 -33.15 39.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 71.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -102.17 32.71 3.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 71.41 111.096 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -32.53 64.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 73.44 110.903 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -32.92 74.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 73.13 110.894 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.6 mt -69.61 -23.78 63.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 70.01 110.912 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.38 -28.72 56.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.165 -0.47 . . . . 65.43 111.157 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -80.69 -39.78 26.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 63.23 110.864 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.05 -43.07 95.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 73.34 110.857 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.6 mt -77.45 -30.86 53.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 73.34 110.915 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.86 -31.42 71.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 64.21 111.105 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -94.85 -30.44 14.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 73.23 110.839 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -116.9 80.62 1.51 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 74.03 110.859 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -80.27 -26.3 39.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 75.03 110.926 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.22 -26.53 63.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 72.53 111.126 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.51 -27.82 62.67 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.728 -0.749 . . . . 74.43 112.496 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -95.94 45.38 1.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.848 0.356 . . . . 74.32 111.061 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -54.15 -58.5 7.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 72.44 111.133 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.2 mt -106.26 -27.83 10.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 73.04 110.969 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 73.34 110.871 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.438 ' HA ' HG22 ' A' ' 5' ' ' THR . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.868 0.366 . . . . 44.420000000000002 110.939 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -81.69 -36.74 28.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 73.340000000000003 110.885 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.401 ' HA ' HG22 ' A' ' 7' ' ' ILE . 12.9 tt -80.97 -27.96 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 73.349999999999994 111.109 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.438 HG22 ' HA ' ' A' ' 2' ' ' TYR . 3.8 t -77.2 -30.55 54.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 54.119999999999997 111.114 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 t -81.2 -35.15 31.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 71.319999999999993 111.141 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.794 ' HA ' HD23 ' A' ' 10' ' ' LEU . 11.1 tt -74.31 -31.61 29.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 72.299999999999997 111.116 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -80.61 -23.84 39.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 74.230000000000004 110.878 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -79.82 -33.08 40.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 74.010000000000005 110.935 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.794 HD23 ' HA ' ' A' ' 7' ' ' ILE . 1.0 OUTLIER -60.0 -27.02 66.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 75.120000000000005 110.943 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.527 ' HB1' ' CD2' ' A' ' 14' ' ' LEU . . . -108.61 42.29 1.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 63.399999999999999 111.102 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.79 -28.27 14.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 62.25 110.906 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -32.97 73.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 72.519999999999996 110.933 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.527 ' CD2' ' HB1' ' A' ' 11' ' ' ALA . 3.8 pp -67.61 -24.95 65.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 72.420000000000002 110.909 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 51.200000000000003 111.12 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.838 0.352 . . . . 74.409999999999997 110.932 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.65 -19.67 58.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 70.450000000000003 110.881 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.486 ' HA ' HG22 ' A' ' 7' ' ' ILE . 11.4 tt -80.04 -22.36 11.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 71.299999999999997 111.147 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.6 p -75.51 -38.56 59.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 61.020000000000003 111.106 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.7 t -74.8 -37.56 62.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.416 . . . . 74.219999999999999 111.172 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.783 ' HA ' HD23 ' A' ' 10' ' ' LEU . 10.8 tt -73.41 -31.68 34.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 54.439999999999998 111.156 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -80.68 -23.85 39.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 64.450000000000003 110.928 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -79.77 -33.09 40.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 64.329999999999998 110.92 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.783 HD23 ' HA ' ' A' ' 7' ' ' ILE . 1.1 pp -59.98 -27.57 66.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 61.149999999999999 110.884 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.752 ' HB1' HD23 ' A' ' 14' ' ' LEU . . . -116.92 50.56 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 70.049999999999997 111.095 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -92.38 -26.58 17.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 74.329999999999998 110.849 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -60.05 -32.92 71.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 64.349999999999994 110.902 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.752 HD23 ' HB1' ' A' ' 11' ' ' ALA . 3.2 pp -67.63 -25.02 65.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 71.439999999999998 110.892 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 72.540000000000006 111.125 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.449 ' HA ' HG22 ' A' ' 5' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.862 0.363 . . . . 74.549999999999997 110.917 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -81.78 -36.66 28.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 53.539999999999999 110.891 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.409 ' HA ' HG22 ' A' ' 7' ' ' ILE . 12.4 tt -81.05 -27.88 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 75.400000000000006 111.118 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.449 HG22 ' HA ' ' A' ' 2' ' ' TYR . 3.8 t -77.25 -30.5 54.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 54.299999999999997 111.147 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.1 t -81.22 -35.05 31.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 74.349999999999994 111.153 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.409 HG22 ' HA ' ' A' ' 4' ' ' ILE . 11.1 tt -74.29 -31.46 28.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 43.210000000000001 111.109 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -80.41 -25.63 38.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 72.319999999999993 110.854 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -79.52 -28.59 41.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 61.210000000000001 110.923 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.4 mt -69.75 -26.14 64.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 74.129999999999995 110.93 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.64 ' HB1' HD12 ' A' ' 14' ' ' LEU . . . -95.5 25.35 4.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 72.099999999999994 111.115 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.35 -29.34 23.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 73.430000000000007 110.897 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -79.98 -33.3 39.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 75.310000000000002 110.896 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.64 HD12 ' HB1' ' A' ' 11' ' ' ALA . 66.8 mt -67.88 -24.98 65.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 73.200000000000003 110.883 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 54.340000000000003 111.149 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.426 ' HA ' HG22 ' A' ' 5' ' ' THR . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.874 0.369 . . . . 63.530000000000001 110.926 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -81.73 -36.75 28.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 61.030000000000001 110.835 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.412 ' HA ' HG22 ' A' ' 7' ' ' ILE . 12.4 tt -81.02 -27.91 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 73.540000000000006 111.11 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.426 HG22 ' HA ' ' A' ' 2' ' ' TYR . 3.8 t -77.15 -30.59 55.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 70.319999999999993 111.151 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 t -81.19 -35.17 31.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 64.299999999999997 111.15 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.412 HG22 ' HA ' ' A' ' 4' ' ' ILE . 11.1 tt -74.27 -31.41 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 62.119999999999997 111.104 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.43 -25.56 38.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 65.109999999999999 110.875 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -78.15 -32.81 50.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 74.439999999999998 110.857 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.5 mt -79.93 -26.03 40.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 72.450000000000003 110.894 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.948 ' HB1' HD23 ' A' ' 14' ' ' LEU . . . -116.67 56.05 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 22.52 111.093 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -85.51 -25.53 26.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 75.340000000000003 110.88 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.94 -31.98 70.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 74.439999999999998 110.915 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.948 HD23 ' HB1' ' A' ' 11' ' ' ALA . 1.8 pp -69.66 -33.24 72.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 62.140000000000001 110.917 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 70.540000000000006 111.097 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.2 t80 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.868 0.366 . . . . 63.009999999999998 110.95 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -60.77 -19.66 59.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 72.519999999999996 110.92 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.482 ' HA ' HG22 ' A' ' 7' ' ' ILE . 11.3 tt -79.69 -21.8 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 75.209999999999994 111.108 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.4 p -76.34 -38.4 55.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 75.310000000000002 111.16 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.8 t -74.97 -36.9 62.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 61.32 111.123 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.482 HG22 ' HA ' ' A' ' 4' ' ' ILE . 10.8 tt -72.89 -31.26 35.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 74.349999999999994 111.163 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -80.24 -25.78 39.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 73.409999999999997 110.84 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -79.12 -32.24 44.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 72.319999999999993 110.845 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.2 mt -78.33 -29.46 47.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 71.140000000000001 110.904 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -112.15 53.76 0.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 71.439999999999998 111.117 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.64 24.05 5.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 74.549999999999997 110.855 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.53 -28.22 41.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 74.230000000000004 110.89 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 pp -60.27 -37.35 80.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 65.109999999999999 110.92 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.1 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 64.430000000000007 111.143 179.982 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.452 ' HA ' HG22 ' A' ' 5' ' ' THR . 41.7 m-85 . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.888 0.375 . . . . 63.240000000000002 110.974 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -81.73 -36.72 28.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 54.119999999999997 110.895 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.411 ' HA ' HG22 ' A' ' 7' ' ' ILE . 12.3 tt -81.02 -27.83 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 74.239999999999995 111.153 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.452 HG22 ' HA ' ' A' ' 2' ' ' TYR . 3.8 t -77.3 -30.46 54.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 41.439999999999998 111.16 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.1 t -81.21 -35.14 31.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 62.219999999999999 111.137 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.411 HG22 ' HA ' ' A' ' 4' ' ' ILE . 11.1 tt -74.32 -31.34 28.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 73.310000000000002 111.162 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -80.47 -25.56 38.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 75.209999999999994 110.878 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.06 -29.98 60.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 72.510000000000005 110.922 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -41.27 90.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 74.400000000000006 110.923 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -119.81 50.2 1.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 72.329999999999998 111.122 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.67 24.13 5.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 73.0 110.862 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.2 pttt -79.75 -27.2 40.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 65.049999999999997 110.921 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 pp -60.31 -36.12 77.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 55.32 110.93 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.7 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 53.409999999999997 111.151 179.958 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.439 ' HA ' HG22 ' A' ' 5' ' ' THR . 2.5 m-85 . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.817 0.341 . . . . 54.229999999999997 110.918 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -81.59 -35.76 29.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 74.329999999999998 110.897 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.433 ' HA ' HG22 ' A' ' 7' ' ' ILE . 12.5 tt -80.81 -28.87 11.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 75.239999999999995 111.156 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.439 HG22 ' HA ' ' A' ' 2' ' ' TYR . 5.0 t -76.68 -31.17 57.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 65.540000000000006 111.157 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.8 t -81.18 -35.44 31.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 72.239999999999995 111.143 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.433 HG22 ' HA ' ' A' ' 4' ' ' ILE . 11.1 tt -74.2 -31.44 29.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 52.530000000000001 111.141 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -80.48 -25.51 38.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 73.109999999999999 110.858 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -77.88 -24.93 48.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 70.25 110.854 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.591 ' O ' HD12 ' A' ' 10' ' ' LEU . 3.0 tp -80.16 -37.14 34.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 72.439999999999998 110.888 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -101.12 26.44 7.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 74.030000000000001 111.074 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.33 -29.28 47.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 60.329999999999998 110.895 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -32.96 62.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 72.120000000000005 110.859 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.5 mt -67.29 -24.92 65.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 62.409999999999997 110.914 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 71.200000000000003 111.174 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.842 0.353 . . . . 75.409999999999997 110.889 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -59.91 -19.69 53.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 71.219999999999999 110.88 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.489 ' HA ' HG22 ' A' ' 7' ' ' ILE . 11.0 tt -79.88 -21.85 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 62.210000000000001 111.143 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.2 p -75.65 -38.77 58.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 74.540000000000006 111.143 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.5 t -74.77 -37.39 62.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 73.319999999999993 111.117 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.776 ' HA ' HD23 ' A' ' 10' ' ' LEU . 10.8 tt -73.39 -31.72 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 74.239999999999995 111.094 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -80.64 -23.9 39.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 75.129999999999995 110.864 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -79.74 -33.16 41.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 63.399999999999999 110.885 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.776 HD23 ' HA ' ' A' ' 7' ' ' ILE . 1.0 OUTLIER -59.97 -26.93 66.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 63.039999999999999 110.896 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -107.6 52.18 0.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 73.310000000000002 111.074 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.8 ppt_? -101.41 24.02 10.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 72.450000000000003 110.872 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.98 -32.95 74.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 65.409999999999997 110.866 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -59.93 -29.26 68.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 71.209999999999994 110.928 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 74.219999999999999 111.145 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.442 ' HA ' HG22 ' A' ' 5' ' ' THR . 16.6 m-85 . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.839 0.352 . . . . 73.430000000000007 110.954 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -81.73 -36.61 28.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 72.219999999999999 110.914 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.4 tt -81.04 -27.98 10.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 72.430000000000007 111.134 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.442 HG22 ' HA ' ' A' ' 2' ' ' TYR . 3.9 t -77.24 -30.51 54.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 72.420000000000002 111.163 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.2 t -81.17 -35.21 31.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 65.209999999999994 111.118 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.2 tt -74.33 -31.36 28.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 72.040000000000006 111.084 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -80.52 -25.64 38.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 71.530000000000001 110.841 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -77.34 -28.82 53.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 55.109999999999999 110.902 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.4 mt -79.98 -30.2 39.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 74.329999999999998 110.935 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.611 ' HA ' HD12 ' A' ' 14' ' ' LEU . . . -52.72 -28.8 23.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 71.209999999999994 111.139 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.409 ' O ' HG22 ' A' ' 15' ' ' THR . 68.0 mtt-85 -52.03 -53.07 46.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 73.439999999999998 110.894 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.1 ttmm -73.92 -30.21 62.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 61.140000000000001 110.914 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.611 HD12 ' HA ' ' A' ' 11' ' ' ALA . 96.1 mt -61.32 -26.09 67.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 75.439999999999998 110.904 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.409 HG22 ' O ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 64.150000000000006 111.126 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.621 ' O ' HG22 ' A' ' 5' ' ' THR . 36.2 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.852 0.358 . . . . 70.120000000000005 110.927 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -59.95 -20.72 59.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 74.099999999999994 110.844 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.3 tt -59.94 -23.85 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 70.0 111.08 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.621 HG22 ' O ' ' A' ' 2' ' ' TYR . 6.1 t -74.46 -32.07 62.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 73.430000000000007 111.116 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.7 p -77.72 -40.27 41.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 55.32 111.126 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.2 tt -71.24 -31.4 43.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 62.149999999999999 111.138 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -80.35 -25.74 39.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 64.120000000000005 110.864 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -75.31 -24.91 57.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 73.5 110.92 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.587 ' O ' HD12 ' A' ' 10' ' ' LEU . 3.0 tp -80.22 -37.1 33.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 75.510000000000005 110.849 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.527 ' HB1' HD12 ' A' ' 14' ' ' LEU . . . -105.32 27.8 7.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 63.119999999999997 111.097 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -28.19 68.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 63.439999999999998 110.897 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 pttp -72.91 -31.97 65.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 51.210000000000001 110.929 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.527 HD12 ' HB1' ' A' ' 11' ' ' ALA . 72.9 mt -67.79 -35.67 79.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 74.340000000000003 110.917 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.230000000000004 111.118 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.632 ' O ' HG22 ' A' ' 5' ' ' THR . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.877 0.37 . . . . 60.509999999999998 110.935 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.518 ' O ' HG22 ' A' ' 6' ' ' THR . 1.9 mt-10 -60.91 -18.27 55.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 71.019999999999996 110.893 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.448 ' HA ' HG22 ' A' ' 7' ' ' ILE . 9.8 tt -61.48 -19.2 20.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 73.219999999999999 111.071 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.632 HG22 ' O ' ' A' ' 2' ' ' TYR . 6.4 t -82.2 -35.47 28.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 64.109999999999999 111.177 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.518 HG22 ' O ' ' A' ' 3' ' ' GLU . 8.8 t -82.26 -25.95 33.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 72.519999999999996 111.169 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.448 HG22 ' HA ' ' A' ' 4' ' ' ILE . 10.2 tt -78.65 -31.92 15.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 72.530000000000001 111.153 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -80.45 -25.47 38.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 72.420000000000002 110.844 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -79.6 -29.28 41.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 75.340000000000003 110.852 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.5 mt -78.78 -28.16 44.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 63.109999999999999 110.907 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.494 ' HB1' HD21 ' A' ' 14' ' ' LEU . . . -95.59 40.64 1.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 70.310000000000002 111.114 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -108.4 -31.43 7.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 72.420000000000002 110.853 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -32.96 72.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 72.510000000000005 110.886 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.494 HD21 ' HB1' ' A' ' 11' ' ' ALA . 4.0 pp -67.1 -25.0 66.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 75.230000000000004 110.948 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 70.230000000000004 111.164 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.825 0.345 . . . . 71.519999999999996 110.945 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -60.7 -19.69 59.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 72.439999999999998 110.87 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.501 ' HA ' HG22 ' A' ' 7' ' ' ILE . 11.4 tt -80.06 -22.35 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 71.319999999999993 111.103 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.2 p -75.4 -38.7 59.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 52.439999999999998 111.115 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.7 t -74.79 -37.5 62.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 75.109999999999999 111.203 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.785 ' HA ' HD23 ' A' ' 10' ' ' LEU . 10.8 tt -73.4 -31.66 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 50.43 111.164 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 49.8 t60 -80.77 -23.82 39.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 63.329999999999998 110.836 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -79.78 -33.15 40.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 62.43 110.894 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.785 HD23 ' HA ' ' A' ' 7' ' ' ILE . 1.0 OUTLIER -59.98 -28.62 67.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 74.030000000000001 110.896 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -118.98 49.17 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 60.340000000000003 111.116 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.9 -29.07 7.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 72.530000000000001 110.874 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -66.11 -40.24 90.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 73.230000000000004 110.892 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 pp -65.07 -23.6 67.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 74.239999999999995 110.905 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 73.310000000000002 111.177 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.442 ' HA ' HG22 ' A' ' 5' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.849 0.357 . . . . 75.109999999999999 110.896 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -81.49 -35.81 30.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 74.310000000000002 110.925 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.429 ' HA ' HG22 ' A' ' 7' ' ' ILE . 13.4 tt -80.77 -28.96 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 65.299999999999997 111.126 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.442 HG22 ' HA ' ' A' ' 2' ' ' TYR . 5.0 t -76.65 -31.19 57.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 72.030000000000001 111.141 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.8 t -81.09 -35.51 31.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 74.450000000000003 111.204 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.8 ' HA ' HD23 ' A' ' 10' ' ' LEU . 11.1 tt -74.24 -31.62 29.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 71.120000000000005 111.105 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -80.59 -23.89 39.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 60.340000000000003 110.886 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -79.79 -33.1 40.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 74.340000000000003 110.88 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.8 HD23 ' HA ' ' A' ' 7' ' ' ILE . 1.0 OUTLIER -59.95 -25.81 65.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.475 . . . . 54.329999999999998 110.928 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.741 ' HB1' HD23 ' A' ' 14' ' ' LEU . . . -95.62 30.65 2.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 34.030000000000001 111.099 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -26.15 33.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 62.219999999999999 110.839 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.9 -29.06 68.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 74.510000000000005 110.926 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.741 HD23 ' HB1' ' A' ' 11' ' ' ALA . 1.4 pp -70.21 -23.79 63.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 71.239999999999995 110.952 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 60.130000000000003 111.126 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.433 ' HA ' HG22 ' A' ' 5' ' ' THR . 19.9 t80 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.861 0.362 . . . . 70.409999999999997 110.945 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -81.76 -36.7 28.23 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.124 -0.489 . . . . 72.230000000000004 110.889 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.4 tt -80.99 -27.93 11.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 74.549999999999997 111.096 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.433 HG22 ' HA ' ' A' ' 2' ' ' TYR . 3.8 t -77.21 -30.56 54.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 71.540000000000006 111.117 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 t -81.25 -35.12 31.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 65.329999999999998 111.113 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.1 tt -74.27 -31.43 28.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 64.310000000000002 111.138 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -80.41 -25.61 38.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 71.209999999999994 110.877 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 -75.07 -24.94 58.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 74.420000000000002 110.914 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.596 ' O ' HD12 ' A' ' 10' ' ' LEU . 3.0 tp -80.15 -37.09 34.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 75.430000000000007 110.92 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.521 ' HB1' HD12 ' A' ' 14' ' ' LEU . . . -97.76 35.13 1.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 64.519999999999996 111.09 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 ptt180 -54.77 -28.29 47.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 74.310000000000002 110.893 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -67.62 -40.21 84.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 74.150000000000006 110.874 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.521 HD12 ' HB1' ' A' ' 11' ' ' ALA . 59.5 mt -60.29 -39.7 87.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 74.120000000000005 110.924 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 53.0 111.125 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.637 ' O ' HG22 ' A' ' 5' ' ' THR . 4.9 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.806 0.336 . . . . 73.439999999999998 110.905 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -60.02 -20.71 59.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 63.229999999999997 110.887 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.3 tt -59.95 -23.81 27.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 75.430000000000007 111.123 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.637 HG22 ' O ' ' A' ' 2' ' ' TYR . 6.2 t -74.24 -32.13 62.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 72.450000000000003 111.134 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.1 p -77.5 -40.62 42.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 72.310000000000002 111.12 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.2 tt -71.05 -31.38 44.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 75.209999999999994 111.187 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -80.37 -25.77 38.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 73.349999999999994 110.853 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.21 -24.94 59.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 51.32 110.922 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.591 ' O ' HD12 ' A' ' 10' ' ' LEU . 3.0 tp -80.11 -37.15 34.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 71.120000000000005 110.91 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.654 ' HB1' HD21 ' A' ' 14' ' ' LEU . . . -100.39 34.21 2.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 62.409999999999997 111.087 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.31 -26.5 15.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 65.129999999999995 110.892 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -67.07 -32.55 73.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 74.209999999999994 110.892 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.654 HD21 ' HB1' ' A' ' 11' ' ' ALA . 3.9 pp -67.93 -34.77 77.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 73.219999999999999 110.917 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 54.140000000000001 111.124 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.639 ' O ' HG22 ' A' ' 5' ' ' THR . 3.5 t80 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.799 0.333 . . . . 75.120000000000005 110.888 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -60.47 -19.51 56.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 61.32 110.91 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.431 ' HA ' HG22 ' A' ' 7' ' ' ILE . 10.3 tt -59.72 -19.35 16.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 52.009999999999998 111.14 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.639 HG22 ' O ' ' A' ' 2' ' ' TYR . 7.2 t -81.48 -34.19 31.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 71.129999999999995 111.159 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.14 -27.74 35.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 74.239999999999995 111.118 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.431 HG22 ' HA ' ' A' ' 4' ' ' ILE . 10.8 tt -78.67 -31.44 15.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 42.200000000000003 111.139 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -80.65 -25.34 38.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 64.109999999999999 110.83 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -79.29 -28.25 42.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 62.219999999999999 110.921 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.0 mt -77.14 -34.28 56.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 72.019999999999996 110.903 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -98.57 37.12 1.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 74.25 111.098 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.05 -29.61 12.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 74.450000000000003 110.883 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.8 ptpt -79.27 -28.42 42.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 74.329999999999998 110.855 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.1 mt -60.2 -37.53 80.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 73.109999999999999 110.899 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.1 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 60.409999999999997 111.136 179.953 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.45 ' HA ' HG22 ' A' ' 5' ' ' THR . 11.7 t80 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.802 0.334 . . . . 64.329999999999998 110.9 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -81.71 -36.71 28.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 73.219999999999999 110.927 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.4 tt -80.97 -27.91 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 73.129999999999995 111.129 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.45 HG22 ' HA ' ' A' ' 2' ' ' TYR . 3.8 t -77.24 -30.5 54.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 73.420000000000002 111.186 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 t -81.25 -35.08 31.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 72.120000000000005 111.161 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.1 tt -74.33 -31.37 28.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 63.210000000000001 111.091 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.45 -25.59 38.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 71.409999999999997 110.877 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -78.65 -24.94 44.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 71.530000000000001 110.879 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.593 ' O ' HD12 ' A' ' 10' ' ' LEU . 3.0 tp -80.15 -37.09 34.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 64.030000000000001 110.941 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.703 ' CB ' HD23 ' A' ' 14' ' ' LEU . . . -115.4 46.05 1.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 50.140000000000001 111.112 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -56.4 -25.09 48.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 74.519999999999996 110.855 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -59.92 -32.24 70.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 75.299999999999997 110.889 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.703 HD23 ' CB ' ' A' ' 11' ' ' ALA . 1.6 pp -68.94 -23.77 64.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 71.530000000000001 110.86 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 65.120000000000005 111.181 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.631 ' O ' HG22 ' A' ' 5' ' ' THR . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.856 0.36 . . . . 74.129999999999995 110.905 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.51 ' O ' HG22 ' A' ' 6' ' ' THR . 1.3 pt-20 -60.93 -18.32 56.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 64.010000000000005 110.863 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.466 ' HA ' HG22 ' A' ' 7' ' ' ILE . 9.9 tt -61.47 -19.17 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 73.219999999999999 111.15 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.631 HG22 ' O ' ' A' ' 2' ' ' TYR . 6.4 t -82.19 -35.51 28.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.48 . . . . 65.120000000000005 111.119 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.51 HG22 ' O ' ' A' ' 3' ' ' GLU . 8.8 t -82.24 -26.01 33.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 74.129999999999995 111.14 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.805 ' HA ' HD23 ' A' ' 10' ' ' LEU . 10.3 tt -78.66 -32.07 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 73.450000000000003 111.16 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -80.56 -23.55 39.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 54.329999999999998 110.863 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -80.05 -33.0 39.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 74.120000000000005 110.898 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.805 HD23 ' HA ' ' A' ' 7' ' ' ILE . 1.1 pp -59.96 -27.8 67.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 75.120000000000005 110.916 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.762 ' HB1' HD23 ' A' ' 14' ' ' LEU . . . -110.77 49.8 0.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 44.329999999999998 111.117 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.3 ptt-85 -90.91 -26.09 19.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 75.430000000000007 110.921 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.03 -32.36 70.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 74.420000000000002 110.937 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.762 HD23 ' HB1' ' A' ' 11' ' ' ALA . 2.9 pp -68.63 -34.49 75.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 74.120000000000005 110.908 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 72.439999999999998 111.149 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.858 0.361 . . . . 60.399999999999999 110.945 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -59.99 -24.56 64.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 65.329999999999998 110.883 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.507 ' HA ' HG22 ' A' ' 7' ' ' ILE . 11.0 tt -66.55 -21.41 28.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 60.030000000000001 111.105 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.4 p -73.2 -39.49 65.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 75.409999999999997 111.135 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.9 p -72.89 -40.69 65.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 60.43 111.144 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.507 HG22 ' HA ' ' A' ' 4' ' ' ILE . 10.9 tt -71.81 -31.47 41.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 74.230000000000004 111.163 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -80.54 -25.91 38.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 75.109999999999999 110.82 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -78.9 -31.7 45.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 64.030000000000001 110.882 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.5 mt -79.58 -26.89 41.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 60.240000000000002 110.889 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.556 ' HB1' HD21 ' A' ' 14' ' ' LEU . . . -104.5 31.04 4.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 70.5 111.086 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? -96.61 -27.15 14.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 63.219999999999999 110.896 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -68.42 -32.4 72.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 73.409999999999997 110.881 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.556 HD21 ' HB1' ' A' ' 11' ' ' ALA . 3.6 pp -71.05 -19.68 62.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 71.400000000000006 110.907 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 73.310000000000002 111.183 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.625 ' O ' HG22 ' A' ' 5' ' ' THR . 0.9 OUTLIER . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.871 0.367 . . . . 73.219999999999999 110.912 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.518 ' O ' HG22 ' A' ' 6' ' ' THR . 0.3 OUTLIER -60.94 -18.3 56.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 74.040000000000006 110.855 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.445 ' HA ' HG22 ' A' ' 7' ' ' ILE . 9.8 tt -61.4 -19.25 20.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 71.109999999999999 111.154 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.625 HG22 ' O ' ' A' ' 2' ' ' TYR . 6.4 t -82.15 -35.54 28.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 52.229999999999997 111.15 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.518 HG22 ' O ' ' A' ' 3' ' ' GLU . 8.8 t -82.2 -25.98 33.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 74.310000000000002 111.121 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.445 HG22 ' HA ' ' A' ' 4' ' ' ILE . 10.3 tt -78.66 -31.93 15.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 63.140000000000001 111.124 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -80.43 -25.5 38.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 74.019999999999996 110.839 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -78.48 -32.09 48.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 75.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.1 mt -80.04 -33.15 39.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 55.509999999999998 110.914 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.745 ' HB1' HD12 ' A' ' 14' ' ' LEU . . . -102.17 32.71 3.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 71.409999999999997 111.096 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -32.53 64.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 72.329999999999998 110.903 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -32.92 74.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 71.299999999999997 110.894 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.745 HD12 ' HB1' ' A' ' 11' ' ' ALA . 91.6 mt -69.61 -23.78 63.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 52.32 110.912 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.165 -0.47 . . . . 65.430000000000007 111.157 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.782 0.325 . . . . 52.229999999999997 110.885 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.438 ' HA ' HG22 ' A' ' 5' ' ' THR . 0.5 OUTLIER -77.44 -19.07 56.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 44.420000000000002 110.939 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -81.69 -36.74 28.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 73.340000000000003 110.885 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.401 ' HA ' HG22 ' A' ' 7' ' ' ILE . 12.9 tt -80.97 -27.96 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 73.349999999999994 111.109 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.438 HG22 ' HA ' ' A' ' 2' ' ' TYR . 3.8 t -77.2 -30.55 54.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 54.119999999999997 111.114 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 t -81.2 -35.15 31.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 71.319999999999993 111.141 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.794 ' HA ' HD23 ' A' ' 10' ' ' LEU . 11.1 tt -74.31 -31.61 29.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 72.299999999999997 111.116 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -80.61 -23.84 39.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 74.230000000000004 110.878 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -79.82 -33.08 40.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 74.010000000000005 110.935 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.794 HD23 ' HA ' ' A' ' 7' ' ' ILE . 1.0 OUTLIER -60.0 -27.02 66.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 75.120000000000005 110.943 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.527 ' HB1' ' CD2' ' A' ' 14' ' ' LEU . . . -108.61 42.29 1.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 63.399999999999999 111.102 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.79 -28.27 14.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 62.25 110.906 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -32.97 73.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 72.519999999999996 110.933 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.527 ' CD2' ' HB1' ' A' ' 11' ' ' ALA . 3.8 pp -67.61 -24.95 65.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 72.420000000000002 110.909 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.68 -28.71 45.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 51.200000000000003 111.12 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -80.67 -31.15 36.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 74.409999999999997 110.848 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -71.97 -40.05 68.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 75.530000000000001 110.937 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.423 HD23 ' O ' ' A' ' 14' ' ' LEU . 1.5 pp -80.03 -26.26 39.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 75.109999999999999 110.928 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.59 -25.33 66.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 75.120000000000005 111.074 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.1 -39.45 72.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 70.310000000000002 110.842 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -75.66 70.29 2.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 71.299999999999997 110.866 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -119.66 -50.22 2.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 71.099999999999994 110.881 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.27 -29.86 25.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 75.510000000000005 111.128 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.89 21.57 25.0 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.738 -0.744 . . . . 65.099999999999994 112.49 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -112.94 37.07 3.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.865 0.364 . . . . 55.219999999999999 111.092 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -115.36 -30.51 6.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 74.420000000000002 111.16 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 mp -51.93 -75.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 64.150000000000006 110.954 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.8 ttp85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 61.329999999999998 110.871 179.907 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.668 ' O ' HG22 ' A' ' 4' ' ' ILE . 3.0 mmmt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.763 0.316 . . . . 63.140000000000001 110.919 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -80.0 -19.0 48.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 74.409999999999997 110.932 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.65 -19.67 58.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 70.450000000000003 110.881 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.668 HG22 ' O ' ' A' ' 1' ' ' LYS . 11.4 tt -80.04 -22.36 11.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 71.299999999999997 111.147 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.6 p -75.51 -38.56 59.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 61.020000000000003 111.106 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.7 t -74.8 -37.56 62.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.416 . . . . 74.219999999999999 111.172 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.783 ' HA ' HD23 ' A' ' 10' ' ' LEU . 10.8 tt -73.41 -31.68 34.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 54.439999999999998 111.156 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -80.68 -23.85 39.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 64.450000000000003 110.928 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -79.77 -33.09 40.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 64.329999999999998 110.92 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.783 HD23 ' HA ' ' A' ' 7' ' ' ILE . 1.1 pp -59.98 -27.57 66.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 61.149999999999999 110.884 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.752 ' HB1' HD23 ' A' ' 14' ' ' LEU . . . -116.92 50.56 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 70.049999999999997 111.095 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -92.38 -26.58 17.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 74.329999999999998 110.849 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -60.05 -32.92 71.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 64.349999999999994 110.902 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.752 HD23 ' HB1' ' A' ' 11' ' ' ALA . 3.2 pp -67.63 -25.02 65.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 71.439999999999998 110.892 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.65 -28.65 45.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 72.540000000000006 111.125 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -80.65 -31.26 36.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 73.319999999999993 110.878 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -71.86 -40.13 69.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 74.319999999999993 110.887 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.414 HD23 ' O ' ' A' ' 14' ' ' LEU . 1.5 pp -80.07 -26.88 39.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 74.310000000000002 110.932 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.3 -26.17 68.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 63.409999999999997 111.085 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.48 101.01 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 73.409999999999997 110.846 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.62 30.28 3.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 74.019999999999996 110.89 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -98.4 26.32 5.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 74.519999999999996 110.899 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.98 -30.9 56.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 75.519999999999996 111.097 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.57 26.82 21.45 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.744 -0.741 . . . . 75.299999999999997 112.478 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.2 36.28 3.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.883 0.373 . . . . 55.020000000000003 111.102 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.6 t -62.58 -30.27 71.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 61.340000000000003 111.152 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 mt -77.84 -29.88 50.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 73.510000000000005 110.903 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 72.519999999999996 110.891 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 54.5 mttt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.769 0.319 . . . . 71.209999999999994 110.876 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.449 ' HA ' HG22 ' A' ' 5' ' ' THR . 0.7 OUTLIER -79.57 -19.03 50.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 74.549999999999997 110.917 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -81.78 -36.66 28.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 53.539999999999999 110.891 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.409 ' HA ' HG22 ' A' ' 7' ' ' ILE . 12.4 tt -81.05 -27.88 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 75.400000000000006 111.118 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.449 HG22 ' HA ' ' A' ' 2' ' ' TYR . 3.8 t -77.25 -30.5 54.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 54.299999999999997 111.147 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.1 t -81.22 -35.05 31.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 74.349999999999994 111.153 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.409 HG22 ' HA ' ' A' ' 4' ' ' ILE . 11.1 tt -74.29 -31.46 28.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 43.210000000000001 111.109 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -80.41 -25.63 38.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 72.319999999999993 110.854 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -79.52 -28.59 41.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 61.210000000000001 110.923 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.4 mt -69.75 -26.14 64.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 74.129999999999995 110.93 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.64 ' HB1' HD12 ' A' ' 14' ' ' LEU . . . -95.5 25.35 4.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 72.099999999999994 111.115 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.35 -29.34 23.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 73.430000000000007 110.897 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -79.98 -33.3 39.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 75.310000000000002 110.896 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.64 HD12 ' HB1' ' A' ' 11' ' ' ALA . 66.8 mt -67.88 -24.98 65.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 73.200000000000003 110.883 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.57 -28.7 45.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 54.340000000000003 111.149 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -80.53 -31.6 36.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 72.219999999999999 110.898 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -71.62 -40.07 70.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 71.430000000000007 110.883 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.572 HD12 ' N ' ' A' ' 19' ' ' ALA . 4.6 pp -78.29 -27.85 47.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 73.430000000000007 110.905 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.572 ' N ' HD12 ' A' ' 18' ' ' LEU . . . -60.05 -25.33 65.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 64.430000000000007 111.102 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -53.3 -34.94 59.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 72.319999999999993 110.901 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.27 28.17 6.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 74.420000000000002 110.844 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -119.09 26.76 9.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 73.140000000000001 110.893 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -109.36 -28.35 9.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 75.540000000000006 111.105 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.32 20.94 45.3 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.774 -0.727 . . . . 51.039999999999999 112.453 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -112.63 25.26 11.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.838 0.351 . . . . 70.230000000000004 111.097 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.656 HG23 HD12 ' A' ' 27' ' ' LEU . 3.3 t -114.01 -26.51 8.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 74.239999999999995 111.116 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.656 HD12 HG23 ' A' ' 26' ' ' THR . 0.4 OUTLIER -120.01 87.38 2.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 70.310000000000002 110.9 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 73.219999999999999 110.886 179.935 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.3 mttp . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.751 0.31 . . . . 65.25 110.864 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.426 ' HA ' HG22 ' A' ' 5' ' ' THR . 0.5 OUTLIER -78.45 -19.1 53.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.263 -0.426 . . . . 63.530000000000001 110.926 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -81.73 -36.75 28.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 61.030000000000001 110.835 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.412 ' HA ' HG22 ' A' ' 7' ' ' ILE . 12.4 tt -81.02 -27.91 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 73.540000000000006 111.11 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.426 HG22 ' HA ' ' A' ' 2' ' ' TYR . 3.8 t -77.15 -30.59 55.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 70.319999999999993 111.151 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 t -81.19 -35.17 31.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 64.299999999999997 111.15 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.412 HG22 ' HA ' ' A' ' 4' ' ' ILE . 11.1 tt -74.27 -31.41 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 62.119999999999997 111.104 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.43 -25.56 38.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 65.109999999999999 110.875 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -78.15 -32.81 50.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 74.439999999999998 110.857 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.5 mt -79.93 -26.03 40.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 72.450000000000003 110.894 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.948 ' HB1' HD23 ' A' ' 14' ' ' LEU . . . -116.67 56.05 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 22.52 111.093 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -85.51 -25.53 26.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 75.340000000000003 110.88 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.94 -31.98 70.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 74.439999999999998 110.915 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.948 HD23 ' HB1' ' A' ' 11' ' ' ALA . 1.8 pp -69.66 -33.24 72.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 62.140000000000001 110.917 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -72.66 -27.41 62.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 70.540000000000006 111.097 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -79.84 -33.57 40.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 73.430000000000007 110.872 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -72.24 -39.12 68.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 73.230000000000004 110.858 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.471 HD12 ' N ' ' A' ' 19' ' ' ALA . 4.6 pp -79.98 -26.07 40.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 73.310000000000002 110.906 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.471 ' N ' HD12 ' A' ' 18' ' ' LEU . . . -60.33 -28.2 67.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 61.450000000000003 111.15 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.89 -47.66 82.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 63.530000000000001 110.839 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.63 70.32 2.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 74.099999999999994 110.913 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 -119.06 87.02 2.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 71.530000000000001 110.924 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -110.38 -30.88 7.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 73.519999999999996 111.108 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.41 40.96 2.35 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 53.299999999999997 112.49 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -111.38 41.82 1.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.871 0.367 . . . . 72.230000000000004 111.099 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -71.72 -54.85 8.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 62.109999999999999 111.09 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 83.2 mt -56.16 -74.95 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.254 -0.43 . . . . 74.25 110.923 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 74.129999999999995 110.868 179.968 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.665 ' O ' HG22 ' A' ' 4' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.788 0.328 . . . . 74.129999999999995 110.884 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -79.96 -19.04 48.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 63.009999999999998 110.95 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -60.77 -19.66 59.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 72.519999999999996 110.92 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.665 HG22 ' O ' ' A' ' 1' ' ' LYS . 11.3 tt -79.69 -21.8 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 75.209999999999994 111.108 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.4 p -76.34 -38.4 55.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 75.310000000000002 111.16 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.8 t -74.97 -36.9 62.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 61.32 111.123 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.482 HG22 ' HA ' ' A' ' 4' ' ' ILE . 10.8 tt -72.89 -31.26 35.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 74.349999999999994 111.163 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -80.24 -25.78 39.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 73.409999999999997 110.84 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -79.12 -32.24 44.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 72.319999999999993 110.845 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.2 mt -78.33 -29.46 47.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 71.140000000000001 110.904 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -112.15 53.76 0.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 71.439999999999998 111.117 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.64 24.05 5.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 74.549999999999997 110.855 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.53 -28.22 41.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 74.230000000000004 110.89 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 pp -60.27 -37.35 80.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 65.109999999999999 110.92 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.1 p -60.04 -42.98 95.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 64.430000000000007 111.143 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.54 -28.73 41.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 50.149999999999999 110.891 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -59.84 -42.72 94.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 74.209999999999994 110.874 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 pp -76.85 -29.05 55.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 65.120000000000005 110.941 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.32 -37.02 74.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 61.310000000000002 111.124 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.2 ptt85 -84.96 -33.6 22.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 74.329999999999998 110.89 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.465 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 3.3 tmm_? -75.99 70.53 2.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 74.409999999999997 110.861 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -61.33 -71.63 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 74.349999999999994 110.89 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.84 -76.27 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 71.530000000000001 111.088 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.54 35.23 4.84 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 71.239999999999995 112.468 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.465 ' HB3' ' HA ' ' A' ' 21' ' ' ARG . . . -99.34 42.24 1.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.908 0.385 . . . . 65.319999999999993 111.136 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.4 t -106.21 -28.89 10.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 63.229999999999997 111.13 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.2 mt -79.79 -30.68 40.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 74.450000000000003 110.913 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 74.310000000000002 110.934 179.893 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 26.5 mttt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.749 0.309 . . . . 72.329999999999998 110.904 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.452 ' HA ' HG22 ' A' ' 5' ' ' THR . 41.7 m-85 -78.45 -19.03 54.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 63.240000000000002 110.974 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -81.73 -36.72 28.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 54.119999999999997 110.895 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.411 ' HA ' HG22 ' A' ' 7' ' ' ILE . 12.3 tt -81.02 -27.83 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 74.239999999999995 111.153 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.452 HG22 ' HA ' ' A' ' 2' ' ' TYR . 3.8 t -77.3 -30.46 54.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 41.439999999999998 111.16 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.1 t -81.21 -35.14 31.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 62.219999999999999 111.137 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.411 HG22 ' HA ' ' A' ' 4' ' ' ILE . 11.1 tt -74.32 -31.34 28.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 73.310000000000002 111.162 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -80.47 -25.56 38.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 75.209999999999994 110.878 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.06 -29.98 60.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 72.510000000000005 110.922 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -41.27 90.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 74.400000000000006 110.923 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -119.81 50.2 1.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 72.329999999999998 111.122 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.67 24.13 5.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 73.0 110.862 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.2 pttt -79.75 -27.2 40.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 65.049999999999997 110.921 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 pp -60.31 -36.12 77.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 55.32 110.93 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.7 p -59.98 -42.99 95.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 53.409999999999997 111.151 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -76.85 -30.03 56.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 75.0 110.805 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 48.6 mtp85 -72.13 -39.77 68.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 75.010000000000005 110.891 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 pp -79.15 -27.53 42.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 71.129999999999995 110.913 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.31 -26.36 68.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 63.329999999999998 111.068 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -108.15 -47.42 3.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 61.420000000000002 110.89 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.12 75.57 5.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 72.230000000000004 110.871 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -119.43 86.94 2.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 63.43 110.859 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -105.9 -30.98 9.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 65.519999999999996 111.094 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.79 27.9 13.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 63.140000000000001 112.411 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -100.15 34.33 2.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.914 0.387 . . . . 74.439999999999998 111.103 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.4 t -78.43 -32.53 48.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 62.149999999999999 111.133 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mt -70.08 -74.99 0.12 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 74.329999999999998 110.937 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 61.039999999999999 110.875 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.803 0.335 . . . . 64.340000000000003 110.893 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.439 ' HA ' HG22 ' A' ' 5' ' ' THR . 2.5 m-85 -80.04 -19.0 48.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 54.229999999999997 110.918 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -81.59 -35.76 29.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 74.329999999999998 110.897 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.433 ' HA ' HG22 ' A' ' 7' ' ' ILE . 12.5 tt -80.81 -28.87 11.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 75.239999999999995 111.156 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.439 HG22 ' HA ' ' A' ' 2' ' ' TYR . 5.0 t -76.68 -31.17 57.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 65.540000000000006 111.157 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.8 t -81.18 -35.44 31.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 72.239999999999995 111.143 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.433 HG22 ' HA ' ' A' ' 4' ' ' ILE . 11.1 tt -74.2 -31.44 29.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 52.530000000000001 111.141 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -80.48 -25.51 38.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 73.109999999999999 110.858 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -77.88 -24.93 48.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 70.25 110.854 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.591 ' O ' HD12 ' A' ' 10' ' ' LEU . 3.0 tp -80.16 -37.14 34.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 72.439999999999998 110.888 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -101.12 26.44 7.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 74.030000000000001 111.074 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.33 -29.28 47.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 60.329999999999998 110.895 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -32.96 62.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 72.120000000000005 110.859 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.421 ' O ' HD23 ' A' ' 18' ' ' LEU . 12.5 mt -67.29 -24.92 65.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 62.409999999999997 110.914 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.7 -28.73 45.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 71.200000000000003 111.174 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -80.59 -31.15 36.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 74.120000000000005 110.849 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -72.06 -40.05 68.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 75.340000000000003 110.889 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.421 HD23 ' O ' ' A' ' 14' ' ' LEU . 1.5 pp -80.05 -26.14 39.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 74.200000000000003 110.915 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.07 -27.2 68.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 74.420000000000002 111.122 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.58 94.69 1.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 71.230000000000004 110.888 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.97 39.82 1.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 75.530000000000001 110.911 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -118.12 -33.02 4.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 74.209999999999994 110.942 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -106.3 -25.62 11.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 70.349999999999994 111.106 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -108.3 38.45 3.33 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 62.310000000000002 112.456 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -94.67 -26.91 16.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 72.030000000000001 111.093 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.8 t -62.82 -26.08 68.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 54.43 111.106 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 29.3 mt -65.06 -74.92 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 64.450000000000003 110.927 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.2 mtm-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 64.430000000000007 110.917 179.945 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.661 ' O ' HG22 ' A' ' 4' ' ' ILE . 68.1 mttt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.778 0.323 . . . . 75.25 110.919 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.29 -18.79 60.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 75.409999999999997 110.889 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -59.91 -19.69 53.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 71.219999999999999 110.88 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.661 HG22 ' O ' ' A' ' 1' ' ' LYS . 11.0 tt -79.88 -21.85 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 62.210000000000001 111.143 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.2 p -75.65 -38.77 58.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 74.540000000000006 111.143 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.5 t -74.77 -37.39 62.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 73.319999999999993 111.117 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.776 ' HA ' HD23 ' A' ' 10' ' ' LEU . 10.8 tt -73.39 -31.72 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 74.239999999999995 111.094 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -80.64 -23.9 39.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 75.129999999999995 110.864 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -79.74 -33.16 41.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 63.399999999999999 110.885 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.776 HD23 ' HA ' ' A' ' 7' ' ' ILE . 1.0 OUTLIER -59.97 -26.93 66.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 63.039999999999999 110.896 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -107.6 52.18 0.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 73.310000000000002 111.074 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.8 ppt_? -101.41 24.02 10.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 72.450000000000003 110.872 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.98 -32.95 74.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 65.409999999999997 110.866 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -59.93 -29.26 68.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 71.209999999999994 110.928 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -74.79 -27.72 60.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 74.219999999999999 111.145 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -80.3 -34.95 36.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 72.239999999999995 110.887 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.6 mtt-85 -68.55 -40.24 80.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 74.040000000000006 110.898 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 pp -80.08 -26.7 39.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 52.539999999999999 110.916 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.54 -37.17 80.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 73.430000000000007 111.125 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -53.78 103.29 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 74.019999999999996 110.869 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.9 -5.13 57.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 74.129999999999995 110.888 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.56 -46.93 6.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 62.329999999999998 110.909 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.07 -30.42 43.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 74.010000000000005 111.13 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.53 -32.1 83.08 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.702 -0.761 . . . . 62.340000000000003 112.528 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.81 34.7 3.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.363 . . . . 53.310000000000002 111.093 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.2 t -54.53 -27.35 37.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 72.099999999999994 111.122 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.08 -30.72 49.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 51.140000000000001 110.91 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.8 mtt-85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 72.230000000000004 110.862 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.74 0.305 . . . . 64.120000000000005 110.898 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.442 ' HA ' HG22 ' A' ' 5' ' ' THR . 16.6 m-85 -79.78 -19.05 49.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 73.430000000000007 110.954 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -81.73 -36.61 28.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 72.219999999999999 110.914 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.4 tt -81.04 -27.98 10.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 72.430000000000007 111.134 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.442 HG22 ' HA ' ' A' ' 2' ' ' TYR . 3.9 t -77.24 -30.51 54.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 72.420000000000002 111.163 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.2 t -81.17 -35.21 31.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 65.209999999999994 111.118 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.2 tt -74.33 -31.36 28.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 72.040000000000006 111.084 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -80.52 -25.64 38.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 71.530000000000001 110.841 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -77.34 -28.82 53.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 55.109999999999999 110.902 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.4 mt -79.98 -30.2 39.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 74.329999999999998 110.935 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.611 ' HA ' HD12 ' A' ' 14' ' ' LEU . . . -52.72 -28.8 23.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 71.209999999999994 111.139 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.409 ' O ' HG22 ' A' ' 15' ' ' THR . 68.0 mtt-85 -52.03 -53.07 46.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 73.439999999999998 110.894 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.1 ttmm -73.92 -30.21 62.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 61.140000000000001 110.914 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.611 HD12 ' HA ' ' A' ' 11' ' ' ALA . 96.1 mt -61.32 -26.09 67.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 75.439999999999998 110.904 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.409 HG22 ' O ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -76.79 -29.83 56.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 64.150000000000006 111.126 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -80.12 -32.52 39.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 73.209999999999994 110.901 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.8 -39.84 76.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 74.430000000000007 110.895 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 pp -79.73 -32.57 41.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 71.310000000000002 110.931 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.33 -34.76 77.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 63.549999999999997 111.102 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.18 103.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 75.519999999999996 110.891 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.36 62.97 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 71.120000000000005 110.839 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -56.0 -72.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 75.099999999999994 110.934 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.67 -76.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 71.040000000000006 111.12 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.31 23.66 15.53 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.77 -0.729 . . . . 54.450000000000003 112.467 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -93.87 45.28 1.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.879 0.371 . . . . 62.210000000000001 111.123 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.408 HG23 ' HG ' ' A' ' 27' ' ' LEU . 13.3 t -112.67 -29.55 7.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 75.040000000000006 111.145 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.408 ' HG ' HG23 ' A' ' 26' ' ' THR . 39.9 mt -91.44 -31.09 16.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 53.43 110.905 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 73.510000000000005 110.862 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.771 0.319 . . . . 74.450000000000003 110.893 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.621 ' O ' HG22 ' A' ' 5' ' ' THR . 36.2 m-85 -70.53 -19.09 62.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 70.120000000000005 110.927 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -59.95 -20.72 59.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 74.099999999999994 110.844 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.3 tt -59.94 -23.85 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 70.0 111.08 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.621 HG22 ' O ' ' A' ' 2' ' ' TYR . 6.1 t -74.46 -32.07 62.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 73.430000000000007 111.116 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.7 p -77.72 -40.27 41.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 55.32 111.126 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.2 tt -71.24 -31.4 43.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 62.149999999999999 111.138 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -80.35 -25.74 39.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 64.120000000000005 110.864 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -75.31 -24.91 57.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 73.5 110.92 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.587 ' O ' HD12 ' A' ' 10' ' ' LEU . 3.0 tp -80.22 -37.1 33.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 75.510000000000005 110.849 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.527 ' HB1' HD12 ' A' ' 14' ' ' LEU . . . -105.32 27.8 7.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 63.119999999999997 111.097 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -28.19 68.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 63.439999999999998 110.897 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 pttp -72.91 -31.97 65.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 51.210000000000001 110.929 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.527 HD12 ' HB1' ' A' ' 11' ' ' ALA . 72.9 mt -67.79 -35.67 79.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 74.340000000000003 110.917 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.44 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.4 OUTLIER -70.14 -27.39 64.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.230000000000004 111.118 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -79.63 -35.82 38.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 61.439999999999998 110.866 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.5 mmt85 -70.65 -39.68 73.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 71.519999999999996 110.828 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.465 HD12 ' N ' ' A' ' 19' ' ' ALA . 4.6 pp -79.68 -26.43 40.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 71.150000000000006 110.924 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.465 ' N ' HD12 ' A' ' 18' ' ' LEU . . . -61.32 -27.68 68.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 73.420000000000002 111.107 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.78 94.78 2.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 71.230000000000004 110.888 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -96.81 32.21 2.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 71.209999999999994 110.867 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -103.77 -41.06 6.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 73.219999999999999 110.9 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -109.04 -26.63 10.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 74.409999999999997 111.084 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -96.2 20.26 50.95 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.717 -0.754 . . . . 74.310000000000002 112.452 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.55 -25.51 64.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.895 0.379 . . . . 65.140000000000001 111.093 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.33 81.44 1.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 51.329999999999998 111.116 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.43 -28.05 65.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 62.43 110.95 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 64.099999999999994 110.876 179.956 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.6 mtpp . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.813 0.34 . . . . 71.030000000000001 110.875 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.632 ' O ' HG22 ' A' ' 5' ' ' THR . 0.1 OUTLIER -75.62 -19.04 59.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 60.509999999999998 110.935 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.518 ' O ' HG22 ' A' ' 6' ' ' THR . 1.9 mt-10 -60.91 -18.27 55.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 71.019999999999996 110.893 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.448 ' HA ' HG22 ' A' ' 7' ' ' ILE . 9.8 tt -61.48 -19.2 20.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 73.219999999999999 111.071 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.632 HG22 ' O ' ' A' ' 2' ' ' TYR . 6.4 t -82.2 -35.47 28.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 64.109999999999999 111.177 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.518 HG22 ' O ' ' A' ' 3' ' ' GLU . 8.8 t -82.26 -25.95 33.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 72.519999999999996 111.169 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.448 HG22 ' HA ' ' A' ' 4' ' ' ILE . 10.2 tt -78.65 -31.92 15.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 72.530000000000001 111.153 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -80.45 -25.47 38.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 72.420000000000002 110.844 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -79.6 -29.28 41.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 75.340000000000003 110.852 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.5 mt -78.78 -28.16 44.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 63.109999999999999 110.907 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.494 ' HB1' HD21 ' A' ' 14' ' ' LEU . . . -95.59 40.64 1.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 70.310000000000002 111.114 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -108.4 -31.43 7.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 72.420000000000002 110.853 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -32.96 72.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 72.510000000000005 110.886 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.494 HD21 ' HB1' ' A' ' 11' ' ' ALA . 4.0 pp -67.1 -25.0 66.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 75.230000000000004 110.948 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.62 -28.74 45.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 70.230000000000004 111.164 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -80.56 -31.24 36.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 74.120000000000005 110.862 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -71.98 -40.04 68.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 75.129999999999995 110.878 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.518 HD12 ' N ' ' A' ' 19' ' ' ALA . 4.6 pp -78.39 -26.07 46.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 74.25 110.893 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.518 ' N ' HD12 ' A' ' 18' ' ' LEU . . . -62.96 -25.16 68.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 71.310000000000002 111.104 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -56.29 -28.46 58.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 55.119999999999997 110.876 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.41 31.21 5.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 64.439999999999998 110.892 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.1 m-20 -119.93 85.62 2.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 53.310000000000002 110.863 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -107.1 -27.48 10.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 74.439999999999998 111.097 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.83 -31.91 31.24 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 63.409999999999997 112.492 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.04 -27.58 45.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.881 0.372 . . . . 53.520000000000003 111.148 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.516 HG23 HD12 ' A' ' 27' ' ' LEU . 3.0 t -111.42 -37.64 5.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 71.329999999999998 111.166 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.516 HD12 HG23 ' A' ' 26' ' ' THR . 1.0 OUTLIER -119.91 86.66 2.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 72.019999999999996 110.889 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.6 ptt85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 74.430000000000007 110.878 179.945 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.669 ' O ' HG22 ' A' ' 4' ' ' ILE . 14.5 mmtp . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.754 0.311 . . . . 72.420000000000002 110.868 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -80.07 -18.88 48.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 71.519999999999996 110.945 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -60.7 -19.69 59.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 72.439999999999998 110.87 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.669 HG22 ' O ' ' A' ' 1' ' ' LYS . 11.4 tt -80.06 -22.35 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 71.319999999999993 111.103 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.2 p -75.4 -38.7 59.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 52.439999999999998 111.115 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.7 t -74.79 -37.5 62.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 75.109999999999999 111.203 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.785 ' HA ' HD23 ' A' ' 10' ' ' LEU . 10.8 tt -73.4 -31.66 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 50.43 111.164 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 49.8 t60 -80.77 -23.82 39.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 63.329999999999998 110.836 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -79.78 -33.15 40.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 62.43 110.894 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.785 HD23 ' HA ' ' A' ' 7' ' ' ILE . 1.0 OUTLIER -59.98 -28.62 67.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 74.030000000000001 110.896 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -118.98 49.17 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 60.340000000000003 111.116 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.9 -29.07 7.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 72.530000000000001 110.874 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -66.11 -40.24 90.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 73.230000000000004 110.892 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 pp -65.07 -23.6 67.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 74.239999999999995 110.905 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.76 -28.66 55.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 73.310000000000002 111.177 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -80.66 -39.14 27.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 73.239999999999995 110.858 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -61.02 -42.84 99.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 71.519999999999996 110.869 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.538 HD12 ' N ' ' A' ' 19' ' ' ALA . 4.6 pp -79.55 -27.97 41.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 71.519999999999996 110.924 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.538 ' N ' HD12 ' A' ' 18' ' ' LEU . . . -65.53 -35.23 80.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 74.120000000000005 111.073 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.44 96.74 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 73.340000000000003 110.869 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.7 ptt180 -106.72 32.54 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 61.299999999999997 110.889 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -97.22 -32.54 11.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 73.549999999999997 110.89 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.25 -31.43 72.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 63.140000000000001 111.127 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.47 24.4 28.89 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.781 -0.723 . . . . 75.109999999999999 112.499 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -97.58 40.48 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 71.409999999999997 111.104 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.27 -63.59 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 74.5 111.194 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.46 -74.98 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 74.25 110.9 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 72.200000000000003 110.836 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.808 0.337 . . . . 73.409999999999997 110.899 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.442 ' HA ' HG22 ' A' ' 5' ' ' THR . 0.2 OUTLIER -80.01 -19.12 48.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 75.109999999999999 110.896 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -81.49 -35.81 30.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 74.310000000000002 110.925 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.429 ' HA ' HG22 ' A' ' 7' ' ' ILE . 13.4 tt -80.77 -28.96 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 65.299999999999997 111.126 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.442 HG22 ' HA ' ' A' ' 2' ' ' TYR . 5.0 t -76.65 -31.19 57.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 72.030000000000001 111.141 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.8 t -81.09 -35.51 31.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 74.450000000000003 111.204 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.8 ' HA ' HD23 ' A' ' 10' ' ' LEU . 11.1 tt -74.24 -31.62 29.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 71.120000000000005 111.105 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -80.59 -23.89 39.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 60.340000000000003 110.886 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -79.79 -33.1 40.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 74.340000000000003 110.88 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.8 HD23 ' HA ' ' A' ' 7' ' ' ILE . 1.0 OUTLIER -59.95 -25.81 65.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.475 . . . . 54.329999999999998 110.928 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.741 ' HB1' HD23 ' A' ' 14' ' ' LEU . . . -95.62 30.65 2.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 34.030000000000001 111.099 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -26.15 33.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 62.219999999999999 110.839 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.9 -29.06 68.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 74.510000000000005 110.926 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.741 HD23 ' HB1' ' A' ' 11' ' ' ALA . 1.4 pp -70.21 -23.79 63.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 71.239999999999995 110.952 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.71 -28.77 55.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 60.130000000000003 111.126 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -80.61 -39.12 28.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 64.340000000000003 110.857 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -60.99 -42.81 99.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 54.32 110.882 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.495 HD12 ' N ' ' A' ' 19' ' ' ALA . 4.6 pp -79.28 -26.29 42.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 74.319999999999993 110.971 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.495 ' N ' HD12 ' A' ' 18' ' ' LEU . . . -71.23 -37.29 72.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 52.130000000000003 111.133 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.8 mmt180 -52.52 -51.95 57.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 74.439999999999998 110.873 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -93.9 73.29 4.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 65.450000000000003 110.885 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 50.2 m-20 -63.44 -28.02 69.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 71.439999999999998 110.931 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.14 -28.48 32.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 73.209999999999994 111.144 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.33 -30.94 75.93 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.709 -0.758 . . . . 75.230000000000004 112.512 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -105.99 41.95 1.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.887 0.375 . . . . 73.230000000000004 111.124 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.3 t -94.23 20.46 8.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 71.519999999999996 111.098 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.556 HD12 ' O ' ' A' ' 27' ' ' LEU . 4.9 tp -108.44 -33.57 7.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 73.019999999999996 110.941 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 73.349999999999994 110.862 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 17.3 mtmm . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.816 0.341 . . . . 75.299999999999997 110.907 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.433 ' HA ' HG22 ' A' ' 5' ' ' THR . 19.9 t80 -78.95 -19.02 52.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 70.409999999999997 110.945 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -81.76 -36.7 28.23 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.124 -0.489 . . . . 72.230000000000004 110.889 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.4 tt -80.99 -27.93 11.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 74.549999999999997 111.096 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.433 HG22 ' HA ' ' A' ' 2' ' ' TYR . 3.8 t -77.21 -30.56 54.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 71.540000000000006 111.117 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 t -81.25 -35.12 31.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 65.329999999999998 111.113 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.1 tt -74.27 -31.43 28.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 64.310000000000002 111.138 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -80.41 -25.61 38.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 71.209999999999994 110.877 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 -75.07 -24.94 58.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 74.420000000000002 110.914 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.596 ' O ' HD12 ' A' ' 10' ' ' LEU . 3.0 tp -80.15 -37.09 34.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 75.430000000000007 110.92 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.521 ' HB1' HD12 ' A' ' 14' ' ' LEU . . . -97.76 35.13 1.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 64.519999999999996 111.09 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 ptt180 -54.77 -28.29 47.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 74.310000000000002 110.893 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -67.62 -40.21 84.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 74.150000000000006 110.874 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.521 HD12 ' HB1' ' A' ' 11' ' ' ALA . 59.5 mt -60.29 -39.7 87.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 74.120000000000005 110.924 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -64.76 -27.74 69.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 53.0 111.125 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -80.14 -40.26 27.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 74.430000000000007 110.899 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.56 -42.87 97.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 70.239999999999995 110.871 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.9 mt -76.5 -32.11 58.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 50.329999999999998 110.913 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.62 -25.32 67.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 65.319999999999993 111.083 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.34 -36.64 71.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 74.540000000000006 110.887 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.03 28.77 6.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 73.140000000000001 110.911 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -118.55 -54.06 2.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 72.140000000000001 110.866 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.27 -30.55 71.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 62.420000000000002 111.101 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.35 -22.53 43.86 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.697 -0.763 . . . . 72.349999999999994 112.454 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.38 44.34 1.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.369 . . . . 61.240000000000002 111.057 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.88 80.8 1.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 71.150000000000006 111.179 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.3 mt -65.32 -31.54 72.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 75.019999999999996 110.899 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 64.310000000000002 110.873 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.765 0.317 . . . . 72.340000000000003 110.889 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.637 ' O ' HG22 ' A' ' 5' ' ' THR . 4.9 m-85 -65.67 -19.06 65.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.267 -0.424 . . . . 73.439999999999998 110.905 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -60.02 -20.71 59.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 63.229999999999997 110.887 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.3 tt -59.95 -23.81 27.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 75.430000000000007 111.123 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.637 HG22 ' O ' ' A' ' 2' ' ' TYR . 6.2 t -74.24 -32.13 62.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 72.450000000000003 111.134 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.1 p -77.5 -40.62 42.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 72.310000000000002 111.12 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.2 tt -71.05 -31.38 44.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 75.209999999999994 111.187 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -80.37 -25.77 38.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 73.349999999999994 110.853 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.21 -24.94 59.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 51.32 110.922 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.591 ' O ' HD12 ' A' ' 10' ' ' LEU . 3.0 tp -80.11 -37.15 34.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 71.120000000000005 110.91 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.654 ' HB1' HD21 ' A' ' 14' ' ' LEU . . . -100.39 34.21 2.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 62.409999999999997 111.087 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.31 -26.5 15.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 65.129999999999995 110.892 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -67.07 -32.55 73.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 74.209999999999994 110.892 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.654 HD21 ' HB1' ' A' ' 11' ' ' ALA . 3.9 pp -67.93 -34.77 77.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 73.219999999999999 110.917 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.78 -27.43 63.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 54.140000000000001 111.124 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -79.65 -35.64 39.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 74.109999999999999 110.862 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 89.5 mtt-85 -69.17 -39.96 78.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 61.020000000000003 110.846 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.0 mt -78.61 -33.45 47.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 75.019999999999996 110.945 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.08 -33.39 72.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 63.109999999999999 111.097 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.69 -28.56 40.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 74.129999999999995 110.896 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -115.41 83.83 1.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 51.039999999999999 110.914 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -96.02 31.35 2.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 55.329999999999998 110.893 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -94.98 -25.48 16.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 53.450000000000003 111.145 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -103.28 -27.57 6.46 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.749 . . . . 72.420000000000002 112.486 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -95.69 29.28 2.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.881 0.372 . . . . 52.140000000000001 111.11 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.19 -53.89 48.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 64.540000000000006 111.134 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.2 mt -54.21 -31.83 54.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 45.310000000000002 110.939 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.8 ptt180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 71.310000000000002 110.879 179.931 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.1 tttt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.793 0.33 . . . . 74.439999999999998 110.868 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.639 ' O ' HG22 ' A' ' 5' ' ' THR . 3.5 t80 -64.18 -19.01 65.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 75.120000000000005 110.888 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -60.47 -19.51 56.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 61.32 110.91 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.431 ' HA ' HG22 ' A' ' 7' ' ' ILE . 10.3 tt -59.72 -19.35 16.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 52.009999999999998 111.14 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.639 HG22 ' O ' ' A' ' 2' ' ' TYR . 7.2 t -81.48 -34.19 31.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 71.129999999999995 111.159 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.14 -27.74 35.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 74.239999999999995 111.118 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.431 HG22 ' HA ' ' A' ' 4' ' ' ILE . 10.8 tt -78.67 -31.44 15.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 42.200000000000003 111.139 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -80.65 -25.34 38.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 64.109999999999999 110.83 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -79.29 -28.25 42.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 62.219999999999999 110.921 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.0 mt -77.14 -34.28 56.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 72.019999999999996 110.903 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -98.57 37.12 1.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 74.25 111.098 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.05 -29.61 12.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 74.450000000000003 110.883 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.8 ptpt -79.27 -28.42 42.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 74.329999999999998 110.855 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.1 mt -60.2 -37.53 80.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 73.109999999999999 110.899 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.1 p -59.95 -43.02 95.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 60.409999999999997 111.136 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.79 -26.64 57.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 73.209999999999994 110.864 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.39 -39.61 53.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 55.43 110.875 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 pp -79.53 -26.38 41.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 75.239999999999995 110.924 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.63 -37.34 76.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 22.02 111.109 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -70.09 91.06 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 74.120000000000005 110.862 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.9 27.89 7.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 72.209999999999994 110.851 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -98.66 -36.34 9.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 75.209999999999994 110.913 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -106.25 -29.29 9.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 61.509999999999998 111.109 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.2 29.94 10.86 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.764 -0.731 . . . . 73.349999999999994 112.445 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.12 53.34 0.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.882 0.372 . . . . 73.299999999999997 111.11 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.4 t -67.72 -29.84 69.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 71.239999999999995 111.169 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.91 -31.13 68.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 72.25 110.94 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 71.329999999999998 110.834 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.1 mtpp . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.765 0.317 . . . . 71.5 110.904 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.45 ' HA ' HG22 ' A' ' 5' ' ' THR . 11.7 t80 -79.57 -19.09 50.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 64.329999999999998 110.9 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -81.71 -36.71 28.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 73.219999999999999 110.927 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.4 tt -80.97 -27.91 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 73.129999999999995 111.129 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.45 HG22 ' HA ' ' A' ' 2' ' ' TYR . 3.8 t -77.24 -30.5 54.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 73.420000000000002 111.186 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 t -81.25 -35.08 31.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 72.120000000000005 111.161 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.1 tt -74.33 -31.37 28.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 63.210000000000001 111.091 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.45 -25.59 38.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 71.409999999999997 110.877 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -78.65 -24.94 44.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 71.530000000000001 110.879 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.593 ' O ' HD12 ' A' ' 10' ' ' LEU . 3.0 tp -80.15 -37.09 34.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 64.030000000000001 110.941 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.703 ' CB ' HD23 ' A' ' 14' ' ' LEU . . . -115.4 46.05 1.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 50.140000000000001 111.112 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -56.4 -25.09 48.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 74.519999999999996 110.855 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -59.92 -32.24 70.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 75.299999999999997 110.889 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.703 HD23 ' CB ' ' A' ' 11' ' ' ALA . 1.6 pp -68.94 -23.77 64.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 71.530000000000001 110.86 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.63 -28.74 56.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 65.120000000000005 111.181 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -80.61 -39.22 27.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 61.329999999999998 110.848 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 -60.86 -42.86 98.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 74.109999999999999 110.896 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.4 mt -77.39 -32.6 54.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 75.540000000000006 110.899 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.01 -29.9 69.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 73.120000000000005 111.131 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -96.0 -44.07 7.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 71.310000000000002 110.855 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.52 77.54 3.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 73.120000000000005 110.884 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -107.88 26.38 10.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 71.140000000000001 110.858 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.14 -30.53 58.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 74.140000000000001 111.148 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.15 24.48 24.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.681 -0.771 . . . . 62.439999999999998 112.493 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.32 29.06 4.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 63.439999999999998 111.094 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.4 t -94.4 -25.63 16.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 75.230000000000004 111.122 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 58.0 mt -59.76 -26.32 65.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 73.109999999999999 110.918 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 75.25 110.914 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.1 tttm . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.798 0.332 . . . . 73.349999999999994 110.885 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.631 ' O ' HG22 ' A' ' 5' ' ' THR . 0.1 OUTLIER -61.93 -18.99 62.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 74.129999999999995 110.905 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.51 ' O ' HG22 ' A' ' 6' ' ' THR . 1.3 pt-20 -60.93 -18.32 56.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 64.010000000000005 110.863 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.466 ' HA ' HG22 ' A' ' 7' ' ' ILE . 9.9 tt -61.47 -19.17 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 73.219999999999999 111.15 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.631 HG22 ' O ' ' A' ' 2' ' ' TYR . 6.4 t -82.19 -35.51 28.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.48 . . . . 65.120000000000005 111.119 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.51 HG22 ' O ' ' A' ' 3' ' ' GLU . 8.8 t -82.24 -26.01 33.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 74.129999999999995 111.14 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.805 ' HA ' HD23 ' A' ' 10' ' ' LEU . 10.3 tt -78.66 -32.07 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 73.450000000000003 111.16 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -80.56 -23.55 39.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 54.329999999999998 110.863 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -80.05 -33.0 39.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 74.120000000000005 110.898 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.805 HD23 ' HA ' ' A' ' 7' ' ' ILE . 1.1 pp -59.96 -27.8 67.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 75.120000000000005 110.916 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.762 ' HB1' HD23 ' A' ' 14' ' ' LEU . . . -110.77 49.8 0.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 44.329999999999998 111.117 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.3 ptt-85 -90.91 -26.09 19.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 75.430000000000007 110.921 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.03 -32.36 70.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 74.420000000000002 110.937 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.762 HD23 ' HB1' ' A' ' 11' ' ' ALA . 2.9 pp -68.63 -34.49 75.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 74.120000000000005 110.908 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.419 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.4 OUTLIER -71.78 -27.36 62.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 72.439999999999998 111.149 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.47 -33.26 42.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 63.43 110.845 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -72.17 -39.79 68.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 74.319999999999993 110.905 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 19' ' ' ALA . 4.5 pp -80.01 -26.29 39.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 73.400000000000006 110.925 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 15' ' ' THR . . . -60.07 -25.34 65.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 72.409999999999997 111.052 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.19 110.26 0.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 74.519999999999996 110.904 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.88 70.21 2.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 74.420000000000002 110.855 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -70.44 -74.11 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 54.350000000000001 110.927 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -120.07 -76.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 71.299999999999997 111.093 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.8 44.07 1.58 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.768 -0.73 . . . . 53.520000000000003 112.468 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.99 58.21 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 74.030000000000001 111.095 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.95 -52.42 5.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 63.439999999999998 111.12 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mt -102.98 -75.02 0.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.291 -0.413 . . . . 62.350000000000001 110.885 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.7 mtt-85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 73.549999999999997 110.883 179.965 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.584 ' O ' HG22 ' A' ' 4' ' ' ILE . 3.1 tppt? . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.777 0.323 . . . . 64.540000000000006 110.887 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -63.96 -19.03 64.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 60.399999999999999 110.945 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -59.99 -24.56 64.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 65.329999999999998 110.883 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.584 HG22 ' O ' ' A' ' 1' ' ' LYS . 11.0 tt -66.55 -21.41 28.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 60.030000000000001 111.105 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.4 p -73.2 -39.49 65.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 75.409999999999997 111.135 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.9 p -72.89 -40.69 65.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 60.43 111.144 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.507 HG22 ' HA ' ' A' ' 4' ' ' ILE . 10.9 tt -71.81 -31.47 41.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 74.230000000000004 111.163 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -80.54 -25.91 38.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 75.109999999999999 110.82 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -78.9 -31.7 45.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 64.030000000000001 110.882 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.5 mt -79.58 -26.89 41.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 60.240000000000002 110.889 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.556 ' HB1' HD21 ' A' ' 14' ' ' LEU . . . -104.5 31.04 4.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 70.5 111.086 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? -96.61 -27.15 14.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 63.219999999999999 110.896 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -68.42 -32.4 72.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 73.409999999999997 110.881 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.556 HD21 ' HB1' ' A' ' 11' ' ' ALA . 3.6 pp -71.05 -19.68 62.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 71.400000000000006 110.907 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.756 ' HA ' HD23 ' A' ' 18' ' ' LEU . 0.9 OUTLIER -80.01 -33.05 39.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 73.310000000000002 111.183 179.872 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -82.04 -31.71 30.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 72.140000000000001 110.855 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -69.51 -31.44 69.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 74.319999999999993 110.89 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.756 HD23 ' HA ' ' A' ' 15' ' ' THR . 1.0 OUTLIER -65.56 -27.52 68.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 73.540000000000006 110.892 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.35 -31.01 72.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 70.349999999999994 111.087 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.45 106.77 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 72.049999999999997 110.87 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.15 35.72 2.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 75.150000000000006 110.855 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -98.08 -34.81 10.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 65.200000000000003 110.872 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -118.22 -29.72 5.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 65.340000000000003 111.057 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.54 26.34 18.42 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.786 -0.721 . . . . 52.549999999999997 112.476 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.53 -25.36 51.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.855 0.359 . . . . 51.32 111.088 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -100.71 78.5 1.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 73.349999999999994 111.104 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.65 -28.33 60.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 64.400000000000006 110.916 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 74.409999999999997 110.907 179.95 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 15.2 mttm . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.759 0.314 . . . . 74.420000000000002 110.928 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.625 ' O ' HG22 ' A' ' 5' ' ' THR . 0.9 OUTLIER -70.62 -19.01 62.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.248 -0.433 . . . . 73.219999999999999 110.912 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.518 ' O ' HG22 ' A' ' 6' ' ' THR . 0.3 OUTLIER -60.94 -18.3 56.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 74.040000000000006 110.855 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.445 ' HA ' HG22 ' A' ' 7' ' ' ILE . 9.8 tt -61.4 -19.25 20.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 71.109999999999999 111.154 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.625 HG22 ' O ' ' A' ' 2' ' ' TYR . 6.4 t -82.15 -35.54 28.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 52.229999999999997 111.15 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.518 HG22 ' O ' ' A' ' 3' ' ' GLU . 8.8 t -82.2 -25.98 33.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 74.310000000000002 111.121 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.445 HG22 ' HA ' ' A' ' 4' ' ' ILE . 10.3 tt -78.66 -31.93 15.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 63.140000000000001 111.124 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -80.43 -25.5 38.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 74.019999999999996 110.839 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -78.48 -32.09 48.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 75.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.1 mt -80.04 -33.15 39.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 55.509999999999998 110.914 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.745 ' HB1' HD12 ' A' ' 14' ' ' LEU . . . -102.17 32.71 3.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 71.409999999999997 111.096 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -32.53 64.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 72.329999999999998 110.903 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -32.92 74.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 71.299999999999997 110.894 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.745 HD12 ' HB1' ' A' ' 11' ' ' ALA . 91.6 mt -69.61 -23.78 63.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 52.32 110.912 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.38 -28.72 56.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.165 -0.47 . . . . 65.430000000000007 111.157 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -80.69 -39.78 26.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 63.229999999999997 110.864 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.05 -43.07 95.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 73.340000000000003 110.857 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.6 mt -77.45 -30.86 53.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 44.310000000000002 110.915 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.86 -31.42 71.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 44.219999999999999 111.105 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -94.85 -30.44 14.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 55.530000000000001 110.839 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -116.9 80.62 1.51 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 70.510000000000005 110.859 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -80.27 -26.3 39.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 64.430000000000007 110.926 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.22 -26.53 63.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 62.25 111.126 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.51 -27.82 62.67 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.728 -0.749 . . . . 74.430000000000007 112.496 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -95.94 45.38 1.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.848 0.356 . . . . 74.319999999999993 111.061 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -54.15 -58.5 7.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 52.119999999999997 111.133 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.2 mt -106.26 -27.83 10.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 73.040000000000006 110.969 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 63.299999999999997 110.871 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.438 ' HA ' HG22 ' A' ' 5' ' ' THR . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.868 0.366 . . . . 44.420000000000002 110.939 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -81.69 -36.74 28.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 73.340000000000003 110.885 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.401 ' HA ' HG22 ' A' ' 7' ' ' ILE . 12.9 tt -80.97 -27.96 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 73.349999999999994 111.109 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.438 HG22 ' HA ' ' A' ' 2' ' ' TYR . 3.8 t -77.2 -30.55 54.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 54.119999999999997 111.114 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 t -81.2 -35.15 31.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 71.319999999999993 111.141 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.794 ' HA ' HD23 ' A' ' 10' ' ' LEU . 11.1 tt -74.31 -31.61 29.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 72.299999999999997 111.116 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -80.61 -23.84 39.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 74.230000000000004 110.878 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -79.82 -33.08 40.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 74.010000000000005 110.935 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.794 HD23 ' HA ' ' A' ' 7' ' ' ILE . 1.0 OUTLIER -60.0 -27.02 66.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 75.120000000000005 110.943 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.527 ' HB1' ' CD2' ' A' ' 14' ' ' LEU . . . -108.61 42.29 1.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 63.399999999999999 111.102 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.79 -28.27 14.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 62.25 110.906 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -32.97 73.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 72.519999999999996 110.933 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.527 ' CD2' ' HB1' ' A' ' 11' ' ' ALA . 3.8 pp -67.61 -24.95 65.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 72.420000000000002 110.909 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 51.200000000000003 111.12 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.838 0.352 . . . . 74.409999999999997 110.932 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.65 -19.67 58.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 70.450000000000003 110.881 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.486 ' HA ' HG22 ' A' ' 7' ' ' ILE . 11.4 tt -80.04 -22.36 11.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 71.299999999999997 111.147 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.6 p -75.51 -38.56 59.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 61.020000000000003 111.106 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.7 t -74.8 -37.56 62.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.416 . . . . 74.219999999999999 111.172 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.783 ' HA ' HD23 ' A' ' 10' ' ' LEU . 10.8 tt -73.41 -31.68 34.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 54.439999999999998 111.156 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -80.68 -23.85 39.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 64.450000000000003 110.928 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -79.77 -33.09 40.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 64.329999999999998 110.92 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.783 HD23 ' HA ' ' A' ' 7' ' ' ILE . 1.1 pp -59.98 -27.57 66.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 61.149999999999999 110.884 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.752 ' HB1' HD23 ' A' ' 14' ' ' LEU . . . -116.92 50.56 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 70.049999999999997 111.095 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -92.38 -26.58 17.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 74.329999999999998 110.849 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -60.05 -32.92 71.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 64.349999999999994 110.902 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.752 HD23 ' HB1' ' A' ' 11' ' ' ALA . 3.2 pp -67.63 -25.02 65.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 71.439999999999998 110.892 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 72.540000000000006 111.125 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.449 ' HA ' HG22 ' A' ' 5' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.862 0.363 . . . . 74.549999999999997 110.917 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -81.78 -36.66 28.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 53.539999999999999 110.891 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.409 ' HA ' HG22 ' A' ' 7' ' ' ILE . 12.4 tt -81.05 -27.88 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 75.400000000000006 111.118 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.449 HG22 ' HA ' ' A' ' 2' ' ' TYR . 3.8 t -77.25 -30.5 54.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 54.299999999999997 111.147 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.1 t -81.22 -35.05 31.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 74.349999999999994 111.153 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.409 HG22 ' HA ' ' A' ' 4' ' ' ILE . 11.1 tt -74.29 -31.46 28.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 43.210000000000001 111.109 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -80.41 -25.63 38.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 72.319999999999993 110.854 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -79.52 -28.59 41.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 61.210000000000001 110.923 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.4 mt -69.75 -26.14 64.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 74.129999999999995 110.93 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.64 ' HB1' HD12 ' A' ' 14' ' ' LEU . . . -95.5 25.35 4.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 72.099999999999994 111.115 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.35 -29.34 23.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 73.430000000000007 110.897 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -79.98 -33.3 39.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 75.310000000000002 110.896 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.64 HD12 ' HB1' ' A' ' 11' ' ' ALA . 66.8 mt -67.88 -24.98 65.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 73.200000000000003 110.883 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 54.340000000000003 111.149 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.426 ' HA ' HG22 ' A' ' 5' ' ' THR . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.874 0.369 . . . . 63.530000000000001 110.926 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -81.73 -36.75 28.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 61.030000000000001 110.835 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.412 ' HA ' HG22 ' A' ' 7' ' ' ILE . 12.4 tt -81.02 -27.91 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 73.540000000000006 111.11 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.426 HG22 ' HA ' ' A' ' 2' ' ' TYR . 3.8 t -77.15 -30.59 55.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 70.319999999999993 111.151 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 t -81.19 -35.17 31.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 64.299999999999997 111.15 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.412 HG22 ' HA ' ' A' ' 4' ' ' ILE . 11.1 tt -74.27 -31.41 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 62.119999999999997 111.104 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.43 -25.56 38.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 65.109999999999999 110.875 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -78.15 -32.81 50.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 74.439999999999998 110.857 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.5 mt -79.93 -26.03 40.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 72.450000000000003 110.894 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.948 ' HB1' HD23 ' A' ' 14' ' ' LEU . . . -116.67 56.05 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 22.52 111.093 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -85.51 -25.53 26.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 75.340000000000003 110.88 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.94 -31.98 70.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 74.439999999999998 110.915 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.948 HD23 ' HB1' ' A' ' 11' ' ' ALA . 1.8 pp -69.66 -33.24 72.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 62.140000000000001 110.917 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 70.540000000000006 111.097 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.2 t80 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.868 0.366 . . . . 63.009999999999998 110.95 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -60.77 -19.66 59.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 72.519999999999996 110.92 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.482 ' HA ' HG22 ' A' ' 7' ' ' ILE . 11.3 tt -79.69 -21.8 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 75.209999999999994 111.108 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.4 p -76.34 -38.4 55.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 75.310000000000002 111.16 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.8 t -74.97 -36.9 62.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 61.32 111.123 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.482 HG22 ' HA ' ' A' ' 4' ' ' ILE . 10.8 tt -72.89 -31.26 35.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 74.349999999999994 111.163 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -80.24 -25.78 39.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 73.409999999999997 110.84 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -79.12 -32.24 44.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 72.319999999999993 110.845 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.2 mt -78.33 -29.46 47.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 71.140000000000001 110.904 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -112.15 53.76 0.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 71.439999999999998 111.117 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.64 24.05 5.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 74.549999999999997 110.855 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.53 -28.22 41.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 74.230000000000004 110.89 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 pp -60.27 -37.35 80.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 65.109999999999999 110.92 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.1 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 64.430000000000007 111.143 179.982 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.452 ' HA ' HG22 ' A' ' 5' ' ' THR . 41.7 m-85 . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.888 0.375 . . . . 63.240000000000002 110.974 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -81.73 -36.72 28.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 54.119999999999997 110.895 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.411 ' HA ' HG22 ' A' ' 7' ' ' ILE . 12.3 tt -81.02 -27.83 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 74.239999999999995 111.153 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.452 HG22 ' HA ' ' A' ' 2' ' ' TYR . 3.8 t -77.3 -30.46 54.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 41.439999999999998 111.16 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.1 t -81.21 -35.14 31.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 62.219999999999999 111.137 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.411 HG22 ' HA ' ' A' ' 4' ' ' ILE . 11.1 tt -74.32 -31.34 28.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 73.310000000000002 111.162 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -80.47 -25.56 38.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 75.209999999999994 110.878 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.06 -29.98 60.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 72.510000000000005 110.922 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -41.27 90.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 74.400000000000006 110.923 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -119.81 50.2 1.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 72.329999999999998 111.122 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.67 24.13 5.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 73.0 110.862 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.2 pttt -79.75 -27.2 40.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 65.049999999999997 110.921 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 pp -60.31 -36.12 77.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 55.32 110.93 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.7 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 53.409999999999997 111.151 179.958 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.439 ' HA ' HG22 ' A' ' 5' ' ' THR . 2.5 m-85 . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.817 0.341 . . . . 54.229999999999997 110.918 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -81.59 -35.76 29.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 74.329999999999998 110.897 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.433 ' HA ' HG22 ' A' ' 7' ' ' ILE . 12.5 tt -80.81 -28.87 11.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 75.239999999999995 111.156 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.439 HG22 ' HA ' ' A' ' 2' ' ' TYR . 5.0 t -76.68 -31.17 57.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 65.540000000000006 111.157 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.8 t -81.18 -35.44 31.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 72.239999999999995 111.143 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.433 HG22 ' HA ' ' A' ' 4' ' ' ILE . 11.1 tt -74.2 -31.44 29.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 52.530000000000001 111.141 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -80.48 -25.51 38.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 73.109999999999999 110.858 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -77.88 -24.93 48.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 70.25 110.854 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.591 ' O ' HD12 ' A' ' 10' ' ' LEU . 3.0 tp -80.16 -37.14 34.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 72.439999999999998 110.888 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -101.12 26.44 7.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 74.030000000000001 111.074 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.33 -29.28 47.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 60.329999999999998 110.895 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -32.96 62.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 72.120000000000005 110.859 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.5 mt -67.29 -24.92 65.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 62.409999999999997 110.914 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 71.200000000000003 111.174 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.842 0.353 . . . . 75.409999999999997 110.889 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -59.91 -19.69 53.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 71.219999999999999 110.88 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.489 ' HA ' HG22 ' A' ' 7' ' ' ILE . 11.0 tt -79.88 -21.85 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 62.210000000000001 111.143 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.2 p -75.65 -38.77 58.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 74.540000000000006 111.143 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.5 t -74.77 -37.39 62.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 73.319999999999993 111.117 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.776 ' HA ' HD23 ' A' ' 10' ' ' LEU . 10.8 tt -73.39 -31.72 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 74.239999999999995 111.094 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -80.64 -23.9 39.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 75.129999999999995 110.864 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -79.74 -33.16 41.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 63.399999999999999 110.885 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.776 HD23 ' HA ' ' A' ' 7' ' ' ILE . 1.0 OUTLIER -59.97 -26.93 66.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 63.039999999999999 110.896 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -107.6 52.18 0.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 73.310000000000002 111.074 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.8 ppt_? -101.41 24.02 10.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 72.450000000000003 110.872 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.98 -32.95 74.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 65.409999999999997 110.866 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -59.93 -29.26 68.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 71.209999999999994 110.928 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 74.219999999999999 111.145 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.442 ' HA ' HG22 ' A' ' 5' ' ' THR . 16.6 m-85 . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.839 0.352 . . . . 73.430000000000007 110.954 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -81.73 -36.61 28.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 72.219999999999999 110.914 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.4 tt -81.04 -27.98 10.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 72.430000000000007 111.134 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.442 HG22 ' HA ' ' A' ' 2' ' ' TYR . 3.9 t -77.24 -30.51 54.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 72.420000000000002 111.163 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.2 t -81.17 -35.21 31.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 65.209999999999994 111.118 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.2 tt -74.33 -31.36 28.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 72.040000000000006 111.084 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -80.52 -25.64 38.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 71.530000000000001 110.841 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -77.34 -28.82 53.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 55.109999999999999 110.902 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.4 mt -79.98 -30.2 39.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 74.329999999999998 110.935 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.611 ' HA ' HD12 ' A' ' 14' ' ' LEU . . . -52.72 -28.8 23.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 71.209999999999994 111.139 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.409 ' O ' HG22 ' A' ' 15' ' ' THR . 68.0 mtt-85 -52.03 -53.07 46.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 73.439999999999998 110.894 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.1 ttmm -73.92 -30.21 62.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 61.140000000000001 110.914 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.611 HD12 ' HA ' ' A' ' 11' ' ' ALA . 96.1 mt -61.32 -26.09 67.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 75.439999999999998 110.904 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.409 HG22 ' O ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 64.150000000000006 111.126 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.621 ' O ' HG22 ' A' ' 5' ' ' THR . 36.2 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.852 0.358 . . . . 70.120000000000005 110.927 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -59.95 -20.72 59.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 74.099999999999994 110.844 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.3 tt -59.94 -23.85 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 70.0 111.08 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.621 HG22 ' O ' ' A' ' 2' ' ' TYR . 6.1 t -74.46 -32.07 62.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 73.430000000000007 111.116 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.7 p -77.72 -40.27 41.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 55.32 111.126 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.2 tt -71.24 -31.4 43.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 62.149999999999999 111.138 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -80.35 -25.74 39.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 64.120000000000005 110.864 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -75.31 -24.91 57.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 73.5 110.92 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.587 ' O ' HD12 ' A' ' 10' ' ' LEU . 3.0 tp -80.22 -37.1 33.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 75.510000000000005 110.849 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.527 ' HB1' HD12 ' A' ' 14' ' ' LEU . . . -105.32 27.8 7.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 63.119999999999997 111.097 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -28.19 68.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 63.439999999999998 110.897 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 pttp -72.91 -31.97 65.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 51.210000000000001 110.929 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.527 HD12 ' HB1' ' A' ' 11' ' ' ALA . 72.9 mt -67.79 -35.67 79.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 74.340000000000003 110.917 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.230000000000004 111.118 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.632 ' O ' HG22 ' A' ' 5' ' ' THR . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.877 0.37 . . . . 60.509999999999998 110.935 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.518 ' O ' HG22 ' A' ' 6' ' ' THR . 1.9 mt-10 -60.91 -18.27 55.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 71.019999999999996 110.893 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.448 ' HA ' HG22 ' A' ' 7' ' ' ILE . 9.8 tt -61.48 -19.2 20.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 73.219999999999999 111.071 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.632 HG22 ' O ' ' A' ' 2' ' ' TYR . 6.4 t -82.2 -35.47 28.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 64.109999999999999 111.177 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.518 HG22 ' O ' ' A' ' 3' ' ' GLU . 8.8 t -82.26 -25.95 33.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 72.519999999999996 111.169 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.448 HG22 ' HA ' ' A' ' 4' ' ' ILE . 10.2 tt -78.65 -31.92 15.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 72.530000000000001 111.153 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -80.45 -25.47 38.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 72.420000000000002 110.844 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -79.6 -29.28 41.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 75.340000000000003 110.852 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.5 mt -78.78 -28.16 44.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 63.109999999999999 110.907 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.494 ' HB1' HD21 ' A' ' 14' ' ' LEU . . . -95.59 40.64 1.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 70.310000000000002 111.114 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -108.4 -31.43 7.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 72.420000000000002 110.853 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -32.96 72.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 72.510000000000005 110.886 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.494 HD21 ' HB1' ' A' ' 11' ' ' ALA . 4.0 pp -67.1 -25.0 66.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 75.230000000000004 110.948 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 70.230000000000004 111.164 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.825 0.345 . . . . 71.519999999999996 110.945 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -60.7 -19.69 59.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 72.439999999999998 110.87 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.501 ' HA ' HG22 ' A' ' 7' ' ' ILE . 11.4 tt -80.06 -22.35 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 71.319999999999993 111.103 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.2 p -75.4 -38.7 59.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 52.439999999999998 111.115 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.7 t -74.79 -37.5 62.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 75.109999999999999 111.203 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.785 ' HA ' HD23 ' A' ' 10' ' ' LEU . 10.8 tt -73.4 -31.66 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 50.43 111.164 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 49.8 t60 -80.77 -23.82 39.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 63.329999999999998 110.836 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -79.78 -33.15 40.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 62.43 110.894 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.785 HD23 ' HA ' ' A' ' 7' ' ' ILE . 1.0 OUTLIER -59.98 -28.62 67.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 74.030000000000001 110.896 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -118.98 49.17 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 60.340000000000003 111.116 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.9 -29.07 7.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 72.530000000000001 110.874 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -66.11 -40.24 90.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 73.230000000000004 110.892 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 pp -65.07 -23.6 67.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 74.239999999999995 110.905 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 73.310000000000002 111.177 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.442 ' HA ' HG22 ' A' ' 5' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.849 0.357 . . . . 75.109999999999999 110.896 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -81.49 -35.81 30.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 74.310000000000002 110.925 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.429 ' HA ' HG22 ' A' ' 7' ' ' ILE . 13.4 tt -80.77 -28.96 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 65.299999999999997 111.126 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.442 HG22 ' HA ' ' A' ' 2' ' ' TYR . 5.0 t -76.65 -31.19 57.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 72.030000000000001 111.141 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.8 t -81.09 -35.51 31.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 74.450000000000003 111.204 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.8 ' HA ' HD23 ' A' ' 10' ' ' LEU . 11.1 tt -74.24 -31.62 29.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 71.120000000000005 111.105 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -80.59 -23.89 39.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 60.340000000000003 110.886 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -79.79 -33.1 40.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 74.340000000000003 110.88 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.8 HD23 ' HA ' ' A' ' 7' ' ' ILE . 1.0 OUTLIER -59.95 -25.81 65.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.475 . . . . 54.329999999999998 110.928 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.741 ' HB1' HD23 ' A' ' 14' ' ' LEU . . . -95.62 30.65 2.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 34.030000000000001 111.099 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -26.15 33.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 62.219999999999999 110.839 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.9 -29.06 68.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 74.510000000000005 110.926 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.741 HD23 ' HB1' ' A' ' 11' ' ' ALA . 1.4 pp -70.21 -23.79 63.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 71.239999999999995 110.952 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 60.130000000000003 111.126 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.433 ' HA ' HG22 ' A' ' 5' ' ' THR . 19.9 t80 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.861 0.362 . . . . 70.409999999999997 110.945 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -81.76 -36.7 28.23 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.124 -0.489 . . . . 72.230000000000004 110.889 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.4 tt -80.99 -27.93 11.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 74.549999999999997 111.096 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.433 HG22 ' HA ' ' A' ' 2' ' ' TYR . 3.8 t -77.21 -30.56 54.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 71.540000000000006 111.117 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 t -81.25 -35.12 31.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 65.329999999999998 111.113 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.1 tt -74.27 -31.43 28.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 64.310000000000002 111.138 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -80.41 -25.61 38.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 71.209999999999994 110.877 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 -75.07 -24.94 58.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 74.420000000000002 110.914 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.596 ' O ' HD12 ' A' ' 10' ' ' LEU . 3.0 tp -80.15 -37.09 34.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 75.430000000000007 110.92 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.521 ' HB1' HD12 ' A' ' 14' ' ' LEU . . . -97.76 35.13 1.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 64.519999999999996 111.09 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 ptt180 -54.77 -28.29 47.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 74.310000000000002 110.893 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -67.62 -40.21 84.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 74.150000000000006 110.874 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.521 HD12 ' HB1' ' A' ' 11' ' ' ALA . 59.5 mt -60.29 -39.7 87.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 74.120000000000005 110.924 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 53.0 111.125 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.637 ' O ' HG22 ' A' ' 5' ' ' THR . 4.9 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.806 0.336 . . . . 73.439999999999998 110.905 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -60.02 -20.71 59.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 63.229999999999997 110.887 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.3 tt -59.95 -23.81 27.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 75.430000000000007 111.123 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.637 HG22 ' O ' ' A' ' 2' ' ' TYR . 6.2 t -74.24 -32.13 62.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 72.450000000000003 111.134 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.1 p -77.5 -40.62 42.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 72.310000000000002 111.12 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.2 tt -71.05 -31.38 44.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 75.209999999999994 111.187 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -80.37 -25.77 38.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 73.349999999999994 110.853 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.21 -24.94 59.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 51.32 110.922 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.591 ' O ' HD12 ' A' ' 10' ' ' LEU . 3.0 tp -80.11 -37.15 34.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 71.120000000000005 110.91 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.654 ' HB1' HD21 ' A' ' 14' ' ' LEU . . . -100.39 34.21 2.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 62.409999999999997 111.087 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.31 -26.5 15.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 65.129999999999995 110.892 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -67.07 -32.55 73.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 74.209999999999994 110.892 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.654 HD21 ' HB1' ' A' ' 11' ' ' ALA . 3.9 pp -67.93 -34.77 77.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 73.219999999999999 110.917 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 54.140000000000001 111.124 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.639 ' O ' HG22 ' A' ' 5' ' ' THR . 3.5 t80 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.799 0.333 . . . . 75.120000000000005 110.888 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -60.47 -19.51 56.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 61.32 110.91 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.431 ' HA ' HG22 ' A' ' 7' ' ' ILE . 10.3 tt -59.72 -19.35 16.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 52.009999999999998 111.14 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.639 HG22 ' O ' ' A' ' 2' ' ' TYR . 7.2 t -81.48 -34.19 31.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 71.129999999999995 111.159 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.14 -27.74 35.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 74.239999999999995 111.118 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.431 HG22 ' HA ' ' A' ' 4' ' ' ILE . 10.8 tt -78.67 -31.44 15.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 42.200000000000003 111.139 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -80.65 -25.34 38.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 64.109999999999999 110.83 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -79.29 -28.25 42.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 62.219999999999999 110.921 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.0 mt -77.14 -34.28 56.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 72.019999999999996 110.903 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -98.57 37.12 1.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 74.25 111.098 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.05 -29.61 12.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 74.450000000000003 110.883 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.8 ptpt -79.27 -28.42 42.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 74.329999999999998 110.855 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.1 mt -60.2 -37.53 80.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 73.109999999999999 110.899 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.1 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 60.409999999999997 111.136 179.953 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.45 ' HA ' HG22 ' A' ' 5' ' ' THR . 11.7 t80 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.802 0.334 . . . . 64.329999999999998 110.9 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -81.71 -36.71 28.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 73.219999999999999 110.927 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.4 tt -80.97 -27.91 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 73.129999999999995 111.129 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.45 HG22 ' HA ' ' A' ' 2' ' ' TYR . 3.8 t -77.24 -30.5 54.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 73.420000000000002 111.186 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 t -81.25 -35.08 31.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 72.120000000000005 111.161 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.1 tt -74.33 -31.37 28.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 63.210000000000001 111.091 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.45 -25.59 38.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 71.409999999999997 110.877 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -78.65 -24.94 44.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 71.530000000000001 110.879 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.593 ' O ' HD12 ' A' ' 10' ' ' LEU . 3.0 tp -80.15 -37.09 34.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 64.030000000000001 110.941 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.703 ' CB ' HD23 ' A' ' 14' ' ' LEU . . . -115.4 46.05 1.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 50.140000000000001 111.112 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -56.4 -25.09 48.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 74.519999999999996 110.855 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -59.92 -32.24 70.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 75.299999999999997 110.889 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.703 HD23 ' CB ' ' A' ' 11' ' ' ALA . 1.6 pp -68.94 -23.77 64.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 71.530000000000001 110.86 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 65.120000000000005 111.181 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.631 ' O ' HG22 ' A' ' 5' ' ' THR . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.856 0.36 . . . . 74.129999999999995 110.905 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.51 ' O ' HG22 ' A' ' 6' ' ' THR . 1.3 pt-20 -60.93 -18.32 56.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 64.010000000000005 110.863 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.466 ' HA ' HG22 ' A' ' 7' ' ' ILE . 9.9 tt -61.47 -19.17 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 73.219999999999999 111.15 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.631 HG22 ' O ' ' A' ' 2' ' ' TYR . 6.4 t -82.19 -35.51 28.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.48 . . . . 65.120000000000005 111.119 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.51 HG22 ' O ' ' A' ' 3' ' ' GLU . 8.8 t -82.24 -26.01 33.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 74.129999999999995 111.14 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.805 ' HA ' HD23 ' A' ' 10' ' ' LEU . 10.3 tt -78.66 -32.07 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 73.450000000000003 111.16 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -80.56 -23.55 39.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 54.329999999999998 110.863 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -80.05 -33.0 39.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 74.120000000000005 110.898 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.805 HD23 ' HA ' ' A' ' 7' ' ' ILE . 1.1 pp -59.96 -27.8 67.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 75.120000000000005 110.916 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.762 ' HB1' HD23 ' A' ' 14' ' ' LEU . . . -110.77 49.8 0.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 44.329999999999998 111.117 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.3 ptt-85 -90.91 -26.09 19.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 75.430000000000007 110.921 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.03 -32.36 70.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 74.420000000000002 110.937 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.762 HD23 ' HB1' ' A' ' 11' ' ' ALA . 2.9 pp -68.63 -34.49 75.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 74.120000000000005 110.908 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 72.439999999999998 111.149 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.858 0.361 . . . . 60.399999999999999 110.945 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -59.99 -24.56 64.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 65.329999999999998 110.883 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.507 ' HA ' HG22 ' A' ' 7' ' ' ILE . 11.0 tt -66.55 -21.41 28.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 60.030000000000001 111.105 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.4 p -73.2 -39.49 65.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 75.409999999999997 111.135 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.9 p -72.89 -40.69 65.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 60.43 111.144 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.507 HG22 ' HA ' ' A' ' 4' ' ' ILE . 10.9 tt -71.81 -31.47 41.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 74.230000000000004 111.163 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -80.54 -25.91 38.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 75.109999999999999 110.82 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -78.9 -31.7 45.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 64.030000000000001 110.882 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.5 mt -79.58 -26.89 41.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 60.240000000000002 110.889 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.556 ' HB1' HD21 ' A' ' 14' ' ' LEU . . . -104.5 31.04 4.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 70.5 111.086 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? -96.61 -27.15 14.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 63.219999999999999 110.896 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -68.42 -32.4 72.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 73.409999999999997 110.881 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.556 HD21 ' HB1' ' A' ' 11' ' ' ALA . 3.6 pp -71.05 -19.68 62.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 71.400000000000006 110.907 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 73.310000000000002 111.183 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.625 ' O ' HG22 ' A' ' 5' ' ' THR . 0.9 OUTLIER . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.871 0.367 . . . . 73.219999999999999 110.912 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.518 ' O ' HG22 ' A' ' 6' ' ' THR . 0.3 OUTLIER -60.94 -18.3 56.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 74.040000000000006 110.855 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.445 ' HA ' HG22 ' A' ' 7' ' ' ILE . 9.8 tt -61.4 -19.25 20.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 71.109999999999999 111.154 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.625 HG22 ' O ' ' A' ' 2' ' ' TYR . 6.4 t -82.15 -35.54 28.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 52.229999999999997 111.15 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.518 HG22 ' O ' ' A' ' 3' ' ' GLU . 8.8 t -82.2 -25.98 33.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 74.310000000000002 111.121 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.445 HG22 ' HA ' ' A' ' 4' ' ' ILE . 10.3 tt -78.66 -31.93 15.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 63.140000000000001 111.124 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -80.43 -25.5 38.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 74.019999999999996 110.839 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -78.48 -32.09 48.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 75.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.1 mt -80.04 -33.15 39.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 55.509999999999998 110.914 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.745 ' HB1' HD12 ' A' ' 14' ' ' LEU . . . -102.17 32.71 3.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 71.409999999999997 111.096 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -32.53 64.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 72.329999999999998 110.903 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -32.92 74.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 71.299999999999997 110.894 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.745 HD12 ' HB1' ' A' ' 11' ' ' ALA . 91.6 mt -69.61 -23.78 63.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 52.32 110.912 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.165 -0.47 . . . . 65.430000000000007 111.157 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.782 0.325 . . . . 52.229999999999997 110.885 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.438 ' HA ' HG22 ' A' ' 5' ' ' THR . 0.5 OUTLIER -77.44 -19.07 56.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 44.420000000000002 110.939 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -81.69 -36.74 28.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 73.340000000000003 110.885 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.401 ' HA ' HG22 ' A' ' 7' ' ' ILE . 12.9 tt -80.97 -27.96 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 73.349999999999994 111.109 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.438 HG22 ' HA ' ' A' ' 2' ' ' TYR . 3.8 t -77.2 -30.55 54.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 54.119999999999997 111.114 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 t -81.2 -35.15 31.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 71.319999999999993 111.141 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.794 ' HA ' HD23 ' A' ' 10' ' ' LEU . 11.1 tt -74.31 -31.61 29.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 72.299999999999997 111.116 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -80.61 -23.84 39.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 74.230000000000004 110.878 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -79.82 -33.08 40.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 74.010000000000005 110.935 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.794 HD23 ' HA ' ' A' ' 7' ' ' ILE . 1.0 OUTLIER -60.0 -27.02 66.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 75.120000000000005 110.943 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.527 ' HB1' ' CD2' ' A' ' 14' ' ' LEU . . . -108.61 42.29 1.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 63.399999999999999 111.102 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.79 -28.27 14.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 62.25 110.906 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -32.97 73.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 72.519999999999996 110.933 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.527 ' CD2' ' HB1' ' A' ' 11' ' ' ALA . 3.8 pp -67.61 -24.95 65.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 72.420000000000002 110.909 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.68 -28.71 45.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 51.200000000000003 111.12 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -80.67 -31.15 36.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 74.409999999999997 110.848 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -71.97 -40.05 68.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 75.530000000000001 110.937 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.423 HD23 ' O ' ' A' ' 14' ' ' LEU . 1.5 pp -80.03 -26.26 39.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 75.109999999999999 110.928 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.59 -25.33 66.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 75.120000000000005 111.074 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.1 -39.45 72.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 70.310000000000002 110.842 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -75.66 70.29 2.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 71.299999999999997 110.866 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -119.66 -50.22 2.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 71.099999999999994 110.881 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.27 -29.86 25.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 75.510000000000005 111.128 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.89 21.57 25.0 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.738 -0.744 . . . . 65.099999999999994 112.49 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -112.94 37.07 3.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.865 0.364 . . . . 55.219999999999999 111.092 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -115.36 -30.51 6.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 74.420000000000002 111.16 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 mp -51.93 -75.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 64.150000000000006 110.954 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.8 ttp85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 61.329999999999998 110.871 179.907 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.668 ' O ' HG22 ' A' ' 4' ' ' ILE . 3.0 mmmt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.763 0.316 . . . . 63.140000000000001 110.919 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -80.0 -19.0 48.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 74.409999999999997 110.932 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.65 -19.67 58.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 70.450000000000003 110.881 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.668 HG22 ' O ' ' A' ' 1' ' ' LYS . 11.4 tt -80.04 -22.36 11.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 71.299999999999997 111.147 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.6 p -75.51 -38.56 59.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 61.020000000000003 111.106 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.7 t -74.8 -37.56 62.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.416 . . . . 74.219999999999999 111.172 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.783 ' HA ' HD23 ' A' ' 10' ' ' LEU . 10.8 tt -73.41 -31.68 34.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 54.439999999999998 111.156 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -80.68 -23.85 39.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 64.450000000000003 110.928 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -79.77 -33.09 40.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 64.329999999999998 110.92 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.783 HD23 ' HA ' ' A' ' 7' ' ' ILE . 1.1 pp -59.98 -27.57 66.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 61.149999999999999 110.884 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.752 ' HB1' HD23 ' A' ' 14' ' ' LEU . . . -116.92 50.56 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 70.049999999999997 111.095 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -92.38 -26.58 17.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 74.329999999999998 110.849 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -60.05 -32.92 71.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 64.349999999999994 110.902 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.752 HD23 ' HB1' ' A' ' 11' ' ' ALA . 3.2 pp -67.63 -25.02 65.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 71.439999999999998 110.892 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.65 -28.65 45.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 72.540000000000006 111.125 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -80.65 -31.26 36.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 73.319999999999993 110.878 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -71.86 -40.13 69.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 74.319999999999993 110.887 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.414 HD23 ' O ' ' A' ' 14' ' ' LEU . 1.5 pp -80.07 -26.88 39.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 74.310000000000002 110.932 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.3 -26.17 68.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 63.409999999999997 111.085 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.48 101.01 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 73.409999999999997 110.846 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.62 30.28 3.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 74.019999999999996 110.89 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -98.4 26.32 5.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 74.519999999999996 110.899 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.98 -30.9 56.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 75.519999999999996 111.097 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.57 26.82 21.45 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.744 -0.741 . . . . 75.299999999999997 112.478 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.2 36.28 3.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.883 0.373 . . . . 55.020000000000003 111.102 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.6 t -62.58 -30.27 71.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 61.340000000000003 111.152 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 mt -77.84 -29.88 50.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 73.510000000000005 110.903 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 72.519999999999996 110.891 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 54.5 mttt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.769 0.319 . . . . 71.209999999999994 110.876 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.449 ' HA ' HG22 ' A' ' 5' ' ' THR . 0.7 OUTLIER -79.57 -19.03 50.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 74.549999999999997 110.917 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -81.78 -36.66 28.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 53.539999999999999 110.891 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.409 ' HA ' HG22 ' A' ' 7' ' ' ILE . 12.4 tt -81.05 -27.88 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 75.400000000000006 111.118 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.449 HG22 ' HA ' ' A' ' 2' ' ' TYR . 3.8 t -77.25 -30.5 54.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 54.299999999999997 111.147 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.1 t -81.22 -35.05 31.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 74.349999999999994 111.153 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.409 HG22 ' HA ' ' A' ' 4' ' ' ILE . 11.1 tt -74.29 -31.46 28.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 43.210000000000001 111.109 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -80.41 -25.63 38.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 72.319999999999993 110.854 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -79.52 -28.59 41.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 61.210000000000001 110.923 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.4 mt -69.75 -26.14 64.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 74.129999999999995 110.93 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.64 ' HB1' HD12 ' A' ' 14' ' ' LEU . . . -95.5 25.35 4.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 72.099999999999994 111.115 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.35 -29.34 23.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 73.430000000000007 110.897 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -79.98 -33.3 39.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 75.310000000000002 110.896 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.64 HD12 ' HB1' ' A' ' 11' ' ' ALA . 66.8 mt -67.88 -24.98 65.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 73.200000000000003 110.883 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.57 -28.7 45.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 54.340000000000003 111.149 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -80.53 -31.6 36.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 72.219999999999999 110.898 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -71.62 -40.07 70.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 71.430000000000007 110.883 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.572 HD12 ' N ' ' A' ' 19' ' ' ALA . 4.6 pp -78.29 -27.85 47.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 73.430000000000007 110.905 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.572 ' N ' HD12 ' A' ' 18' ' ' LEU . . . -60.05 -25.33 65.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 64.430000000000007 111.102 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -53.3 -34.94 59.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 72.319999999999993 110.901 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.27 28.17 6.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 74.420000000000002 110.844 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -119.09 26.76 9.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 73.140000000000001 110.893 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -109.36 -28.35 9.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 75.540000000000006 111.105 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.32 20.94 45.3 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.774 -0.727 . . . . 51.039999999999999 112.453 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -112.63 25.26 11.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.838 0.351 . . . . 70.230000000000004 111.097 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.656 HG23 HD12 ' A' ' 27' ' ' LEU . 3.3 t -114.01 -26.51 8.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 74.239999999999995 111.116 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.656 HD12 HG23 ' A' ' 26' ' ' THR . 0.4 OUTLIER -120.01 87.38 2.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 70.310000000000002 110.9 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 73.219999999999999 110.886 179.935 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.3 mttp . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.751 0.31 . . . . 65.25 110.864 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.426 ' HA ' HG22 ' A' ' 5' ' ' THR . 0.5 OUTLIER -78.45 -19.1 53.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.263 -0.426 . . . . 63.530000000000001 110.926 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -81.73 -36.75 28.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 61.030000000000001 110.835 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.412 ' HA ' HG22 ' A' ' 7' ' ' ILE . 12.4 tt -81.02 -27.91 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 73.540000000000006 111.11 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.426 HG22 ' HA ' ' A' ' 2' ' ' TYR . 3.8 t -77.15 -30.59 55.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 70.319999999999993 111.151 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 t -81.19 -35.17 31.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 64.299999999999997 111.15 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.412 HG22 ' HA ' ' A' ' 4' ' ' ILE . 11.1 tt -74.27 -31.41 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 62.119999999999997 111.104 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.43 -25.56 38.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 65.109999999999999 110.875 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -78.15 -32.81 50.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 74.439999999999998 110.857 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.5 mt -79.93 -26.03 40.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 72.450000000000003 110.894 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.948 ' HB1' HD23 ' A' ' 14' ' ' LEU . . . -116.67 56.05 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 22.52 111.093 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -85.51 -25.53 26.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 75.340000000000003 110.88 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.94 -31.98 70.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 74.439999999999998 110.915 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.948 HD23 ' HB1' ' A' ' 11' ' ' ALA . 1.8 pp -69.66 -33.24 72.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 62.140000000000001 110.917 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -72.66 -27.41 62.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 70.540000000000006 111.097 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -79.84 -33.57 40.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 73.430000000000007 110.872 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -72.24 -39.12 68.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 73.230000000000004 110.858 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.471 HD12 ' N ' ' A' ' 19' ' ' ALA . 4.6 pp -79.98 -26.07 40.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 73.310000000000002 110.906 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.471 ' N ' HD12 ' A' ' 18' ' ' LEU . . . -60.33 -28.2 67.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 61.450000000000003 111.15 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.89 -47.66 82.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 63.530000000000001 110.839 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.63 70.32 2.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 74.099999999999994 110.913 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 -119.06 87.02 2.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 71.530000000000001 110.924 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -110.38 -30.88 7.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 73.519999999999996 111.108 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.41 40.96 2.35 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 53.299999999999997 112.49 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -111.38 41.82 1.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.871 0.367 . . . . 72.230000000000004 111.099 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -71.72 -54.85 8.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 62.109999999999999 111.09 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 83.2 mt -56.16 -74.95 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.254 -0.43 . . . . 74.25 110.923 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 74.129999999999995 110.868 179.968 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.665 ' O ' HG22 ' A' ' 4' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.788 0.328 . . . . 74.129999999999995 110.884 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -79.96 -19.04 48.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 63.009999999999998 110.95 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -60.77 -19.66 59.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 72.519999999999996 110.92 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.665 HG22 ' O ' ' A' ' 1' ' ' LYS . 11.3 tt -79.69 -21.8 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 75.209999999999994 111.108 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.4 p -76.34 -38.4 55.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 75.310000000000002 111.16 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.8 t -74.97 -36.9 62.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 61.32 111.123 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.482 HG22 ' HA ' ' A' ' 4' ' ' ILE . 10.8 tt -72.89 -31.26 35.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 74.349999999999994 111.163 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -80.24 -25.78 39.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 73.409999999999997 110.84 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -79.12 -32.24 44.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 72.319999999999993 110.845 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.2 mt -78.33 -29.46 47.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 71.140000000000001 110.904 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -112.15 53.76 0.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 71.439999999999998 111.117 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.64 24.05 5.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 74.549999999999997 110.855 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.53 -28.22 41.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 74.230000000000004 110.89 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 pp -60.27 -37.35 80.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 65.109999999999999 110.92 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.1 p -60.04 -42.98 95.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 64.430000000000007 111.143 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.54 -28.73 41.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 50.149999999999999 110.891 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -59.84 -42.72 94.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 74.209999999999994 110.874 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 pp -76.85 -29.05 55.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 65.120000000000005 110.941 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.32 -37.02 74.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 61.310000000000002 111.124 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.2 ptt85 -84.96 -33.6 22.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 74.329999999999998 110.89 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.465 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 3.3 tmm_? -75.99 70.53 2.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 74.409999999999997 110.861 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -61.33 -71.63 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 74.349999999999994 110.89 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.84 -76.27 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 71.530000000000001 111.088 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.54 35.23 4.84 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 71.239999999999995 112.468 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.465 ' HB3' ' HA ' ' A' ' 21' ' ' ARG . . . -99.34 42.24 1.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.908 0.385 . . . . 65.319999999999993 111.136 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.4 t -106.21 -28.89 10.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 63.229999999999997 111.13 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.2 mt -79.79 -30.68 40.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 74.450000000000003 110.913 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 74.310000000000002 110.934 179.893 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 26.5 mttt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.749 0.309 . . . . 72.329999999999998 110.904 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.452 ' HA ' HG22 ' A' ' 5' ' ' THR . 41.7 m-85 -78.45 -19.03 54.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 63.240000000000002 110.974 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -81.73 -36.72 28.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 54.119999999999997 110.895 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.411 ' HA ' HG22 ' A' ' 7' ' ' ILE . 12.3 tt -81.02 -27.83 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 74.239999999999995 111.153 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.452 HG22 ' HA ' ' A' ' 2' ' ' TYR . 3.8 t -77.3 -30.46 54.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 41.439999999999998 111.16 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.1 t -81.21 -35.14 31.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 62.219999999999999 111.137 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.411 HG22 ' HA ' ' A' ' 4' ' ' ILE . 11.1 tt -74.32 -31.34 28.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 73.310000000000002 111.162 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -80.47 -25.56 38.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 75.209999999999994 110.878 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.06 -29.98 60.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 72.510000000000005 110.922 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -41.27 90.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 74.400000000000006 110.923 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -119.81 50.2 1.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 72.329999999999998 111.122 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.67 24.13 5.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 73.0 110.862 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.2 pttt -79.75 -27.2 40.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 65.049999999999997 110.921 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 pp -60.31 -36.12 77.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 55.32 110.93 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.7 p -59.98 -42.99 95.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 53.409999999999997 111.151 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -76.85 -30.03 56.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 75.0 110.805 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 48.6 mtp85 -72.13 -39.77 68.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 75.010000000000005 110.891 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 pp -79.15 -27.53 42.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 71.129999999999995 110.913 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.31 -26.36 68.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 63.329999999999998 111.068 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -108.15 -47.42 3.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 61.420000000000002 110.89 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.12 75.57 5.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 72.230000000000004 110.871 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -119.43 86.94 2.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 63.43 110.859 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -105.9 -30.98 9.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 65.519999999999996 111.094 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.79 27.9 13.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 63.140000000000001 112.411 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -100.15 34.33 2.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.914 0.387 . . . . 74.439999999999998 111.103 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.4 t -78.43 -32.53 48.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 62.149999999999999 111.133 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mt -70.08 -74.99 0.12 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 74.329999999999998 110.937 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 61.039999999999999 110.875 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.803 0.335 . . . . 64.340000000000003 110.893 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.439 ' HA ' HG22 ' A' ' 5' ' ' THR . 2.5 m-85 -80.04 -19.0 48.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 54.229999999999997 110.918 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -81.59 -35.76 29.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 74.329999999999998 110.897 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.433 ' HA ' HG22 ' A' ' 7' ' ' ILE . 12.5 tt -80.81 -28.87 11.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 75.239999999999995 111.156 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.439 HG22 ' HA ' ' A' ' 2' ' ' TYR . 5.0 t -76.68 -31.17 57.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 65.540000000000006 111.157 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.8 t -81.18 -35.44 31.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 72.239999999999995 111.143 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.433 HG22 ' HA ' ' A' ' 4' ' ' ILE . 11.1 tt -74.2 -31.44 29.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 52.530000000000001 111.141 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -80.48 -25.51 38.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 73.109999999999999 110.858 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -77.88 -24.93 48.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 70.25 110.854 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.591 ' O ' HD12 ' A' ' 10' ' ' LEU . 3.0 tp -80.16 -37.14 34.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 72.439999999999998 110.888 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -101.12 26.44 7.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 74.030000000000001 111.074 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.33 -29.28 47.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 60.329999999999998 110.895 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -32.96 62.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 72.120000000000005 110.859 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.421 ' O ' HD23 ' A' ' 18' ' ' LEU . 12.5 mt -67.29 -24.92 65.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 62.409999999999997 110.914 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.7 -28.73 45.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 71.200000000000003 111.174 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -80.59 -31.15 36.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 74.120000000000005 110.849 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -72.06 -40.05 68.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 75.340000000000003 110.889 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.421 HD23 ' O ' ' A' ' 14' ' ' LEU . 1.5 pp -80.05 -26.14 39.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 74.200000000000003 110.915 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.07 -27.2 68.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 74.420000000000002 111.122 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.58 94.69 1.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 71.230000000000004 110.888 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.97 39.82 1.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 75.530000000000001 110.911 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -118.12 -33.02 4.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 74.209999999999994 110.942 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -106.3 -25.62 11.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 70.349999999999994 111.106 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -108.3 38.45 3.33 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 62.310000000000002 112.456 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -94.67 -26.91 16.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 72.030000000000001 111.093 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.8 t -62.82 -26.08 68.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 54.43 111.106 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 29.3 mt -65.06 -74.92 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 64.450000000000003 110.927 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.2 mtm-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 64.430000000000007 110.917 179.945 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.661 ' O ' HG22 ' A' ' 4' ' ' ILE . 68.1 mttt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.778 0.323 . . . . 75.25 110.919 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.29 -18.79 60.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 75.409999999999997 110.889 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -59.91 -19.69 53.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 71.219999999999999 110.88 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.661 HG22 ' O ' ' A' ' 1' ' ' LYS . 11.0 tt -79.88 -21.85 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 62.210000000000001 111.143 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.2 p -75.65 -38.77 58.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 74.540000000000006 111.143 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.5 t -74.77 -37.39 62.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 73.319999999999993 111.117 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.776 ' HA ' HD23 ' A' ' 10' ' ' LEU . 10.8 tt -73.39 -31.72 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 74.239999999999995 111.094 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -80.64 -23.9 39.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 75.129999999999995 110.864 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -79.74 -33.16 41.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 63.399999999999999 110.885 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.776 HD23 ' HA ' ' A' ' 7' ' ' ILE . 1.0 OUTLIER -59.97 -26.93 66.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 63.039999999999999 110.896 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -107.6 52.18 0.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 73.310000000000002 111.074 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.8 ppt_? -101.41 24.02 10.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 72.450000000000003 110.872 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.98 -32.95 74.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 65.409999999999997 110.866 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -59.93 -29.26 68.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 71.209999999999994 110.928 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -74.79 -27.72 60.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 74.219999999999999 111.145 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -80.3 -34.95 36.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 72.239999999999995 110.887 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.6 mtt-85 -68.55 -40.24 80.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 74.040000000000006 110.898 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 pp -80.08 -26.7 39.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 52.539999999999999 110.916 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.54 -37.17 80.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 73.430000000000007 111.125 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -53.78 103.29 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 74.019999999999996 110.869 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.9 -5.13 57.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 74.129999999999995 110.888 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.56 -46.93 6.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 62.329999999999998 110.909 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.07 -30.42 43.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 74.010000000000005 111.13 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.53 -32.1 83.08 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.702 -0.761 . . . . 62.340000000000003 112.528 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.81 34.7 3.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.363 . . . . 53.310000000000002 111.093 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.2 t -54.53 -27.35 37.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 72.099999999999994 111.122 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.08 -30.72 49.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 51.140000000000001 110.91 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.8 mtt-85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 72.230000000000004 110.862 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.74 0.305 . . . . 64.120000000000005 110.898 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.442 ' HA ' HG22 ' A' ' 5' ' ' THR . 16.6 m-85 -79.78 -19.05 49.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 73.430000000000007 110.954 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -81.73 -36.61 28.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 72.219999999999999 110.914 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.4 tt -81.04 -27.98 10.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 72.430000000000007 111.134 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.442 HG22 ' HA ' ' A' ' 2' ' ' TYR . 3.9 t -77.24 -30.51 54.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 72.420000000000002 111.163 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.2 t -81.17 -35.21 31.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 65.209999999999994 111.118 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.2 tt -74.33 -31.36 28.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 72.040000000000006 111.084 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -80.52 -25.64 38.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 71.530000000000001 110.841 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -77.34 -28.82 53.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 55.109999999999999 110.902 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.4 mt -79.98 -30.2 39.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 74.329999999999998 110.935 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.611 ' HA ' HD12 ' A' ' 14' ' ' LEU . . . -52.72 -28.8 23.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 71.209999999999994 111.139 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.409 ' O ' HG22 ' A' ' 15' ' ' THR . 68.0 mtt-85 -52.03 -53.07 46.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 73.439999999999998 110.894 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.1 ttmm -73.92 -30.21 62.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 61.140000000000001 110.914 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.611 HD12 ' HA ' ' A' ' 11' ' ' ALA . 96.1 mt -61.32 -26.09 67.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 75.439999999999998 110.904 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.409 HG22 ' O ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -76.79 -29.83 56.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 64.150000000000006 111.126 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -80.12 -32.52 39.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 73.209999999999994 110.901 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.8 -39.84 76.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 74.430000000000007 110.895 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 pp -79.73 -32.57 41.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 71.310000000000002 110.931 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.33 -34.76 77.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 63.549999999999997 111.102 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.18 103.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 75.519999999999996 110.891 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.36 62.97 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 71.120000000000005 110.839 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -56.0 -72.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 75.099999999999994 110.934 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.67 -76.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 71.040000000000006 111.12 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.31 23.66 15.53 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.77 -0.729 . . . . 54.450000000000003 112.467 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -93.87 45.28 1.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.879 0.371 . . . . 62.210000000000001 111.123 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.408 HG23 ' HG ' ' A' ' 27' ' ' LEU . 13.3 t -112.67 -29.55 7.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 75.040000000000006 111.145 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.408 ' HG ' HG23 ' A' ' 26' ' ' THR . 39.9 mt -91.44 -31.09 16.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 53.43 110.905 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 73.510000000000005 110.862 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.771 0.319 . . . . 74.450000000000003 110.893 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.621 ' O ' HG22 ' A' ' 5' ' ' THR . 36.2 m-85 -70.53 -19.09 62.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 70.120000000000005 110.927 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -59.95 -20.72 59.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 74.099999999999994 110.844 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.3 tt -59.94 -23.85 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 70.0 111.08 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.621 HG22 ' O ' ' A' ' 2' ' ' TYR . 6.1 t -74.46 -32.07 62.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 73.430000000000007 111.116 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.7 p -77.72 -40.27 41.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 55.32 111.126 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.2 tt -71.24 -31.4 43.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 62.149999999999999 111.138 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -80.35 -25.74 39.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 64.120000000000005 110.864 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -75.31 -24.91 57.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 73.5 110.92 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.587 ' O ' HD12 ' A' ' 10' ' ' LEU . 3.0 tp -80.22 -37.1 33.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 75.510000000000005 110.849 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.527 ' HB1' HD12 ' A' ' 14' ' ' LEU . . . -105.32 27.8 7.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 63.119999999999997 111.097 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -28.19 68.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 63.439999999999998 110.897 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 pttp -72.91 -31.97 65.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 51.210000000000001 110.929 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.527 HD12 ' HB1' ' A' ' 11' ' ' ALA . 72.9 mt -67.79 -35.67 79.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 74.340000000000003 110.917 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.44 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.4 OUTLIER -70.14 -27.39 64.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.230000000000004 111.118 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -79.63 -35.82 38.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 61.439999999999998 110.866 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.5 mmt85 -70.65 -39.68 73.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 71.519999999999996 110.828 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.465 HD12 ' N ' ' A' ' 19' ' ' ALA . 4.6 pp -79.68 -26.43 40.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 71.150000000000006 110.924 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.465 ' N ' HD12 ' A' ' 18' ' ' LEU . . . -61.32 -27.68 68.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 73.420000000000002 111.107 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.78 94.78 2.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 71.230000000000004 110.888 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -96.81 32.21 2.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 71.209999999999994 110.867 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -103.77 -41.06 6.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 73.219999999999999 110.9 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -109.04 -26.63 10.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 74.409999999999997 111.084 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -96.2 20.26 50.95 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.717 -0.754 . . . . 74.310000000000002 112.452 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.55 -25.51 64.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.895 0.379 . . . . 65.140000000000001 111.093 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.33 81.44 1.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 51.329999999999998 111.116 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.43 -28.05 65.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 62.43 110.95 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 64.099999999999994 110.876 179.956 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.6 mtpp . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.813 0.34 . . . . 71.030000000000001 110.875 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.632 ' O ' HG22 ' A' ' 5' ' ' THR . 0.1 OUTLIER -75.62 -19.04 59.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 60.509999999999998 110.935 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.518 ' O ' HG22 ' A' ' 6' ' ' THR . 1.9 mt-10 -60.91 -18.27 55.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 71.019999999999996 110.893 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.448 ' HA ' HG22 ' A' ' 7' ' ' ILE . 9.8 tt -61.48 -19.2 20.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 73.219999999999999 111.071 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.632 HG22 ' O ' ' A' ' 2' ' ' TYR . 6.4 t -82.2 -35.47 28.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 64.109999999999999 111.177 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.518 HG22 ' O ' ' A' ' 3' ' ' GLU . 8.8 t -82.26 -25.95 33.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 72.519999999999996 111.169 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.448 HG22 ' HA ' ' A' ' 4' ' ' ILE . 10.2 tt -78.65 -31.92 15.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 72.530000000000001 111.153 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -80.45 -25.47 38.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 72.420000000000002 110.844 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -79.6 -29.28 41.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 75.340000000000003 110.852 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.5 mt -78.78 -28.16 44.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 63.109999999999999 110.907 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.494 ' HB1' HD21 ' A' ' 14' ' ' LEU . . . -95.59 40.64 1.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 70.310000000000002 111.114 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -108.4 -31.43 7.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 72.420000000000002 110.853 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -32.96 72.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 72.510000000000005 110.886 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.494 HD21 ' HB1' ' A' ' 11' ' ' ALA . 4.0 pp -67.1 -25.0 66.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 75.230000000000004 110.948 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.62 -28.74 45.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 70.230000000000004 111.164 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -80.56 -31.24 36.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 74.120000000000005 110.862 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -71.98 -40.04 68.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 75.129999999999995 110.878 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.518 HD12 ' N ' ' A' ' 19' ' ' ALA . 4.6 pp -78.39 -26.07 46.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 74.25 110.893 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.518 ' N ' HD12 ' A' ' 18' ' ' LEU . . . -62.96 -25.16 68.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 71.310000000000002 111.104 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -56.29 -28.46 58.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 55.119999999999997 110.876 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.41 31.21 5.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 64.439999999999998 110.892 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.1 m-20 -119.93 85.62 2.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 53.310000000000002 110.863 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -107.1 -27.48 10.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 74.439999999999998 111.097 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.83 -31.91 31.24 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 63.409999999999997 112.492 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.04 -27.58 45.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.881 0.372 . . . . 53.520000000000003 111.148 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.516 HG23 HD12 ' A' ' 27' ' ' LEU . 3.0 t -111.42 -37.64 5.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 71.329999999999998 111.166 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.516 HD12 HG23 ' A' ' 26' ' ' THR . 1.0 OUTLIER -119.91 86.66 2.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 72.019999999999996 110.889 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.6 ptt85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 74.430000000000007 110.878 179.945 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.669 ' O ' HG22 ' A' ' 4' ' ' ILE . 14.5 mmtp . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.754 0.311 . . . . 72.420000000000002 110.868 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -80.07 -18.88 48.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 71.519999999999996 110.945 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -60.7 -19.69 59.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 72.439999999999998 110.87 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.669 HG22 ' O ' ' A' ' 1' ' ' LYS . 11.4 tt -80.06 -22.35 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 71.319999999999993 111.103 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.2 p -75.4 -38.7 59.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 52.439999999999998 111.115 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.7 t -74.79 -37.5 62.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 75.109999999999999 111.203 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.785 ' HA ' HD23 ' A' ' 10' ' ' LEU . 10.8 tt -73.4 -31.66 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 50.43 111.164 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 49.8 t60 -80.77 -23.82 39.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 63.329999999999998 110.836 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -79.78 -33.15 40.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 62.43 110.894 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.785 HD23 ' HA ' ' A' ' 7' ' ' ILE . 1.0 OUTLIER -59.98 -28.62 67.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 74.030000000000001 110.896 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -118.98 49.17 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 60.340000000000003 111.116 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.9 -29.07 7.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 72.530000000000001 110.874 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -66.11 -40.24 90.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 73.230000000000004 110.892 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 pp -65.07 -23.6 67.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 74.239999999999995 110.905 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.76 -28.66 55.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 73.310000000000002 111.177 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -80.66 -39.14 27.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 73.239999999999995 110.858 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -61.02 -42.84 99.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 71.519999999999996 110.869 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.538 HD12 ' N ' ' A' ' 19' ' ' ALA . 4.6 pp -79.55 -27.97 41.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 71.519999999999996 110.924 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.538 ' N ' HD12 ' A' ' 18' ' ' LEU . . . -65.53 -35.23 80.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 74.120000000000005 111.073 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.44 96.74 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 73.340000000000003 110.869 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.7 ptt180 -106.72 32.54 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 61.299999999999997 110.889 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -97.22 -32.54 11.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 73.549999999999997 110.89 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.25 -31.43 72.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 63.140000000000001 111.127 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.47 24.4 28.89 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.781 -0.723 . . . . 75.109999999999999 112.499 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -97.58 40.48 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 71.409999999999997 111.104 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.27 -63.59 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 74.5 111.194 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.46 -74.98 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 74.25 110.9 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 72.200000000000003 110.836 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.808 0.337 . . . . 73.409999999999997 110.899 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.442 ' HA ' HG22 ' A' ' 5' ' ' THR . 0.2 OUTLIER -80.01 -19.12 48.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 75.109999999999999 110.896 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -81.49 -35.81 30.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 74.310000000000002 110.925 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.429 ' HA ' HG22 ' A' ' 7' ' ' ILE . 13.4 tt -80.77 -28.96 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 65.299999999999997 111.126 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.442 HG22 ' HA ' ' A' ' 2' ' ' TYR . 5.0 t -76.65 -31.19 57.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 72.030000000000001 111.141 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.8 t -81.09 -35.51 31.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 74.450000000000003 111.204 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.8 ' HA ' HD23 ' A' ' 10' ' ' LEU . 11.1 tt -74.24 -31.62 29.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 71.120000000000005 111.105 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -80.59 -23.89 39.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 60.340000000000003 110.886 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -79.79 -33.1 40.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 74.340000000000003 110.88 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.8 HD23 ' HA ' ' A' ' 7' ' ' ILE . 1.0 OUTLIER -59.95 -25.81 65.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.475 . . . . 54.329999999999998 110.928 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.741 ' HB1' HD23 ' A' ' 14' ' ' LEU . . . -95.62 30.65 2.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 34.030000000000001 111.099 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -26.15 33.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 62.219999999999999 110.839 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.9 -29.06 68.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 74.510000000000005 110.926 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.741 HD23 ' HB1' ' A' ' 11' ' ' ALA . 1.4 pp -70.21 -23.79 63.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 71.239999999999995 110.952 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.71 -28.77 55.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 60.130000000000003 111.126 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -80.61 -39.12 28.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 64.340000000000003 110.857 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -60.99 -42.81 99.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 54.32 110.882 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.495 HD12 ' N ' ' A' ' 19' ' ' ALA . 4.6 pp -79.28 -26.29 42.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 74.319999999999993 110.971 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.495 ' N ' HD12 ' A' ' 18' ' ' LEU . . . -71.23 -37.29 72.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 52.130000000000003 111.133 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.8 mmt180 -52.52 -51.95 57.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 74.439999999999998 110.873 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -93.9 73.29 4.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 65.450000000000003 110.885 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 50.2 m-20 -63.44 -28.02 69.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 71.439999999999998 110.931 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.14 -28.48 32.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 73.209999999999994 111.144 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.33 -30.94 75.93 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.709 -0.758 . . . . 75.230000000000004 112.512 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -105.99 41.95 1.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.887 0.375 . . . . 73.230000000000004 111.124 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.3 t -94.23 20.46 8.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 71.519999999999996 111.098 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.556 HD12 ' O ' ' A' ' 27' ' ' LEU . 4.9 tp -108.44 -33.57 7.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 73.019999999999996 110.941 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 73.349999999999994 110.862 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 17.3 mtmm . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.816 0.341 . . . . 75.299999999999997 110.907 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.433 ' HA ' HG22 ' A' ' 5' ' ' THR . 19.9 t80 -78.95 -19.02 52.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 70.409999999999997 110.945 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -81.76 -36.7 28.23 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.124 -0.489 . . . . 72.230000000000004 110.889 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.4 tt -80.99 -27.93 11.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 74.549999999999997 111.096 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.433 HG22 ' HA ' ' A' ' 2' ' ' TYR . 3.8 t -77.21 -30.56 54.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 71.540000000000006 111.117 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 t -81.25 -35.12 31.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 65.329999999999998 111.113 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.1 tt -74.27 -31.43 28.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 64.310000000000002 111.138 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -80.41 -25.61 38.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 71.209999999999994 110.877 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 -75.07 -24.94 58.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 74.420000000000002 110.914 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.596 ' O ' HD12 ' A' ' 10' ' ' LEU . 3.0 tp -80.15 -37.09 34.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 75.430000000000007 110.92 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.521 ' HB1' HD12 ' A' ' 14' ' ' LEU . . . -97.76 35.13 1.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 64.519999999999996 111.09 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 ptt180 -54.77 -28.29 47.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 74.310000000000002 110.893 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -67.62 -40.21 84.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 74.150000000000006 110.874 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.521 HD12 ' HB1' ' A' ' 11' ' ' ALA . 59.5 mt -60.29 -39.7 87.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 74.120000000000005 110.924 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -64.76 -27.74 69.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 53.0 111.125 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -80.14 -40.26 27.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 74.430000000000007 110.899 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.56 -42.87 97.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 70.239999999999995 110.871 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.9 mt -76.5 -32.11 58.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 50.329999999999998 110.913 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.62 -25.32 67.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 65.319999999999993 111.083 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.34 -36.64 71.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 74.540000000000006 110.887 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.03 28.77 6.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 73.140000000000001 110.911 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -118.55 -54.06 2.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 72.140000000000001 110.866 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.27 -30.55 71.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 62.420000000000002 111.101 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.35 -22.53 43.86 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.697 -0.763 . . . . 72.349999999999994 112.454 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.38 44.34 1.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.369 . . . . 61.240000000000002 111.057 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.88 80.8 1.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 71.150000000000006 111.179 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.3 mt -65.32 -31.54 72.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 75.019999999999996 110.899 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 64.310000000000002 110.873 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.765 0.317 . . . . 72.340000000000003 110.889 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.637 ' O ' HG22 ' A' ' 5' ' ' THR . 4.9 m-85 -65.67 -19.06 65.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.267 -0.424 . . . . 73.439999999999998 110.905 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -60.02 -20.71 59.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 63.229999999999997 110.887 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.3 tt -59.95 -23.81 27.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 75.430000000000007 111.123 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.637 HG22 ' O ' ' A' ' 2' ' ' TYR . 6.2 t -74.24 -32.13 62.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 72.450000000000003 111.134 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.1 p -77.5 -40.62 42.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 72.310000000000002 111.12 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.2 tt -71.05 -31.38 44.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 75.209999999999994 111.187 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -80.37 -25.77 38.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 73.349999999999994 110.853 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.21 -24.94 59.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 51.32 110.922 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.591 ' O ' HD12 ' A' ' 10' ' ' LEU . 3.0 tp -80.11 -37.15 34.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 71.120000000000005 110.91 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.654 ' HB1' HD21 ' A' ' 14' ' ' LEU . . . -100.39 34.21 2.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 62.409999999999997 111.087 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.31 -26.5 15.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 65.129999999999995 110.892 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -67.07 -32.55 73.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 74.209999999999994 110.892 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.654 HD21 ' HB1' ' A' ' 11' ' ' ALA . 3.9 pp -67.93 -34.77 77.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 73.219999999999999 110.917 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.78 -27.43 63.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 54.140000000000001 111.124 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -79.65 -35.64 39.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 74.109999999999999 110.862 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 89.5 mtt-85 -69.17 -39.96 78.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 61.020000000000003 110.846 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.0 mt -78.61 -33.45 47.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 75.019999999999996 110.945 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.08 -33.39 72.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 63.109999999999999 111.097 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.69 -28.56 40.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 74.129999999999995 110.896 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -115.41 83.83 1.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 51.039999999999999 110.914 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -96.02 31.35 2.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 55.329999999999998 110.893 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -94.98 -25.48 16.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 53.450000000000003 111.145 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -103.28 -27.57 6.46 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.749 . . . . 72.420000000000002 112.486 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -95.69 29.28 2.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.881 0.372 . . . . 52.140000000000001 111.11 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.19 -53.89 48.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 64.540000000000006 111.134 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.2 mt -54.21 -31.83 54.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 45.310000000000002 110.939 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.8 ptt180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 71.310000000000002 110.879 179.931 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.1 tttt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.793 0.33 . . . . 74.439999999999998 110.868 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.639 ' O ' HG22 ' A' ' 5' ' ' THR . 3.5 t80 -64.18 -19.01 65.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 75.120000000000005 110.888 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -60.47 -19.51 56.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 61.32 110.91 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.431 ' HA ' HG22 ' A' ' 7' ' ' ILE . 10.3 tt -59.72 -19.35 16.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 52.009999999999998 111.14 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.639 HG22 ' O ' ' A' ' 2' ' ' TYR . 7.2 t -81.48 -34.19 31.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 71.129999999999995 111.159 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.14 -27.74 35.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 74.239999999999995 111.118 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.431 HG22 ' HA ' ' A' ' 4' ' ' ILE . 10.8 tt -78.67 -31.44 15.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 42.200000000000003 111.139 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -80.65 -25.34 38.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 64.109999999999999 110.83 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -79.29 -28.25 42.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 62.219999999999999 110.921 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.0 mt -77.14 -34.28 56.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 72.019999999999996 110.903 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -98.57 37.12 1.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 74.25 111.098 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.05 -29.61 12.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 74.450000000000003 110.883 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.8 ptpt -79.27 -28.42 42.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 74.329999999999998 110.855 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.1 mt -60.2 -37.53 80.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 73.109999999999999 110.899 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.1 p -59.95 -43.02 95.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 60.409999999999997 111.136 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.79 -26.64 57.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 73.209999999999994 110.864 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.39 -39.61 53.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 55.43 110.875 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 pp -79.53 -26.38 41.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 75.239999999999995 110.924 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.63 -37.34 76.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 22.02 111.109 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -70.09 91.06 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 74.120000000000005 110.862 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.9 27.89 7.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 72.209999999999994 110.851 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -98.66 -36.34 9.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 75.209999999999994 110.913 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -106.25 -29.29 9.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 61.509999999999998 111.109 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.2 29.94 10.86 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.764 -0.731 . . . . 73.349999999999994 112.445 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.12 53.34 0.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.882 0.372 . . . . 73.299999999999997 111.11 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.4 t -67.72 -29.84 69.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 71.239999999999995 111.169 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.91 -31.13 68.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 72.25 110.94 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 71.329999999999998 110.834 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.1 mtpp . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.765 0.317 . . . . 71.5 110.904 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.45 ' HA ' HG22 ' A' ' 5' ' ' THR . 11.7 t80 -79.57 -19.09 50.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 64.329999999999998 110.9 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -81.71 -36.71 28.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 73.219999999999999 110.927 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.4 tt -80.97 -27.91 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 73.129999999999995 111.129 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.45 HG22 ' HA ' ' A' ' 2' ' ' TYR . 3.8 t -77.24 -30.5 54.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 73.420000000000002 111.186 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 t -81.25 -35.08 31.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 72.120000000000005 111.161 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.1 tt -74.33 -31.37 28.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 63.210000000000001 111.091 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.45 -25.59 38.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 71.409999999999997 110.877 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -78.65 -24.94 44.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 71.530000000000001 110.879 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.593 ' O ' HD12 ' A' ' 10' ' ' LEU . 3.0 tp -80.15 -37.09 34.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 64.030000000000001 110.941 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.703 ' CB ' HD23 ' A' ' 14' ' ' LEU . . . -115.4 46.05 1.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 50.140000000000001 111.112 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -56.4 -25.09 48.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 74.519999999999996 110.855 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -59.92 -32.24 70.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 75.299999999999997 110.889 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.703 HD23 ' CB ' ' A' ' 11' ' ' ALA . 1.6 pp -68.94 -23.77 64.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 71.530000000000001 110.86 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.63 -28.74 56.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 65.120000000000005 111.181 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -80.61 -39.22 27.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 61.329999999999998 110.848 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 -60.86 -42.86 98.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 74.109999999999999 110.896 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.4 mt -77.39 -32.6 54.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 75.540000000000006 110.899 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.01 -29.9 69.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 73.120000000000005 111.131 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -96.0 -44.07 7.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 71.310000000000002 110.855 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.52 77.54 3.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 73.120000000000005 110.884 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -107.88 26.38 10.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 71.140000000000001 110.858 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.14 -30.53 58.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 74.140000000000001 111.148 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.15 24.48 24.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.681 -0.771 . . . . 62.439999999999998 112.493 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.32 29.06 4.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 63.439999999999998 111.094 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.4 t -94.4 -25.63 16.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 75.230000000000004 111.122 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 58.0 mt -59.76 -26.32 65.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 73.109999999999999 110.918 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 75.25 110.914 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.1 tttm . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.798 0.332 . . . . 73.349999999999994 110.885 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.631 ' O ' HG22 ' A' ' 5' ' ' THR . 0.1 OUTLIER -61.93 -18.99 62.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 74.129999999999995 110.905 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.51 ' O ' HG22 ' A' ' 6' ' ' THR . 1.3 pt-20 -60.93 -18.32 56.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 64.010000000000005 110.863 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.466 ' HA ' HG22 ' A' ' 7' ' ' ILE . 9.9 tt -61.47 -19.17 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 73.219999999999999 111.15 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.631 HG22 ' O ' ' A' ' 2' ' ' TYR . 6.4 t -82.19 -35.51 28.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.48 . . . . 65.120000000000005 111.119 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.51 HG22 ' O ' ' A' ' 3' ' ' GLU . 8.8 t -82.24 -26.01 33.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 74.129999999999995 111.14 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.805 ' HA ' HD23 ' A' ' 10' ' ' LEU . 10.3 tt -78.66 -32.07 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 73.450000000000003 111.16 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -80.56 -23.55 39.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 54.329999999999998 110.863 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -80.05 -33.0 39.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 74.120000000000005 110.898 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.805 HD23 ' HA ' ' A' ' 7' ' ' ILE . 1.1 pp -59.96 -27.8 67.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 75.120000000000005 110.916 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.762 ' HB1' HD23 ' A' ' 14' ' ' LEU . . . -110.77 49.8 0.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 44.329999999999998 111.117 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.3 ptt-85 -90.91 -26.09 19.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 75.430000000000007 110.921 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.03 -32.36 70.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 74.420000000000002 110.937 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.762 HD23 ' HB1' ' A' ' 11' ' ' ALA . 2.9 pp -68.63 -34.49 75.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 74.120000000000005 110.908 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.419 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.4 OUTLIER -71.78 -27.36 62.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 72.439999999999998 111.149 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.47 -33.26 42.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 63.43 110.845 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -72.17 -39.79 68.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 74.319999999999993 110.905 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 19' ' ' ALA . 4.5 pp -80.01 -26.29 39.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 73.400000000000006 110.925 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 15' ' ' THR . . . -60.07 -25.34 65.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 72.409999999999997 111.052 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.19 110.26 0.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 74.519999999999996 110.904 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.88 70.21 2.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 74.420000000000002 110.855 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -70.44 -74.11 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 54.350000000000001 110.927 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -120.07 -76.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 71.299999999999997 111.093 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.8 44.07 1.58 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.768 -0.73 . . . . 53.520000000000003 112.468 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.99 58.21 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 74.030000000000001 111.095 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.95 -52.42 5.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 63.439999999999998 111.12 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mt -102.98 -75.02 0.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.291 -0.413 . . . . 62.350000000000001 110.885 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.7 mtt-85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 73.549999999999997 110.883 179.965 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.584 ' O ' HG22 ' A' ' 4' ' ' ILE . 3.1 tppt? . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.777 0.323 . . . . 64.540000000000006 110.887 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -63.96 -19.03 64.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 60.399999999999999 110.945 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -59.99 -24.56 64.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 65.329999999999998 110.883 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.584 HG22 ' O ' ' A' ' 1' ' ' LYS . 11.0 tt -66.55 -21.41 28.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 60.030000000000001 111.105 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.4 p -73.2 -39.49 65.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 75.409999999999997 111.135 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.9 p -72.89 -40.69 65.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 60.43 111.144 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.507 HG22 ' HA ' ' A' ' 4' ' ' ILE . 10.9 tt -71.81 -31.47 41.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 74.230000000000004 111.163 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -80.54 -25.91 38.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 75.109999999999999 110.82 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -78.9 -31.7 45.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 64.030000000000001 110.882 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.5 mt -79.58 -26.89 41.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 60.240000000000002 110.889 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.556 ' HB1' HD21 ' A' ' 14' ' ' LEU . . . -104.5 31.04 4.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 70.5 111.086 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? -96.61 -27.15 14.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 63.219999999999999 110.896 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -68.42 -32.4 72.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 73.409999999999997 110.881 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.556 HD21 ' HB1' ' A' ' 11' ' ' ALA . 3.6 pp -71.05 -19.68 62.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 71.400000000000006 110.907 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.756 ' HA ' HD23 ' A' ' 18' ' ' LEU . 0.9 OUTLIER -80.01 -33.05 39.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 73.310000000000002 111.183 179.872 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -82.04 -31.71 30.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 72.140000000000001 110.855 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -69.51 -31.44 69.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 74.319999999999993 110.89 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.756 HD23 ' HA ' ' A' ' 15' ' ' THR . 1.0 OUTLIER -65.56 -27.52 68.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 73.540000000000006 110.892 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.35 -31.01 72.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 70.349999999999994 111.087 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.45 106.77 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 72.049999999999997 110.87 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.15 35.72 2.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 75.150000000000006 110.855 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -98.08 -34.81 10.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 65.200000000000003 110.872 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -118.22 -29.72 5.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 65.340000000000003 111.057 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.54 26.34 18.42 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.786 -0.721 . . . . 52.549999999999997 112.476 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.53 -25.36 51.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.855 0.359 . . . . 51.32 111.088 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -100.71 78.5 1.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 73.349999999999994 111.104 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.65 -28.33 60.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 64.400000000000006 110.916 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 74.409999999999997 110.907 179.95 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 15.2 mttm . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.759 0.314 . . . . 74.420000000000002 110.928 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.625 ' O ' HG22 ' A' ' 5' ' ' THR . 0.9 OUTLIER -70.62 -19.01 62.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.248 -0.433 . . . . 73.219999999999999 110.912 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.518 ' O ' HG22 ' A' ' 6' ' ' THR . 0.3 OUTLIER -60.94 -18.3 56.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 74.040000000000006 110.855 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.445 ' HA ' HG22 ' A' ' 7' ' ' ILE . 9.8 tt -61.4 -19.25 20.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 71.109999999999999 111.154 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.625 HG22 ' O ' ' A' ' 2' ' ' TYR . 6.4 t -82.15 -35.54 28.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 52.229999999999997 111.15 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.518 HG22 ' O ' ' A' ' 3' ' ' GLU . 8.8 t -82.2 -25.98 33.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 74.310000000000002 111.121 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.445 HG22 ' HA ' ' A' ' 4' ' ' ILE . 10.3 tt -78.66 -31.93 15.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 63.140000000000001 111.124 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -80.43 -25.5 38.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 74.019999999999996 110.839 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -78.48 -32.09 48.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 75.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.1 mt -80.04 -33.15 39.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 55.509999999999998 110.914 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.745 ' HB1' HD12 ' A' ' 14' ' ' LEU . . . -102.17 32.71 3.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 71.409999999999997 111.096 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -32.53 64.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 72.329999999999998 110.903 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -32.92 74.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 71.299999999999997 110.894 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.745 HD12 ' HB1' ' A' ' 11' ' ' ALA . 91.6 mt -69.61 -23.78 63.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 52.32 110.912 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.38 -28.72 56.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.165 -0.47 . . . . 65.430000000000007 111.157 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -80.69 -39.78 26.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 63.229999999999997 110.864 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.05 -43.07 95.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 73.340000000000003 110.857 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.6 mt -77.45 -30.86 53.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 44.310000000000002 110.915 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.86 -31.42 71.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 44.219999999999999 111.105 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -94.85 -30.44 14.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 55.530000000000001 110.839 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -116.9 80.62 1.51 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 70.510000000000005 110.859 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -80.27 -26.3 39.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 64.430000000000007 110.926 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.22 -26.53 63.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 62.25 111.126 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.51 -27.82 62.67 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.728 -0.749 . . . . 74.430000000000007 112.496 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -95.94 45.38 1.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.848 0.356 . . . . 74.319999999999993 111.061 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -54.15 -58.5 7.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 52.119999999999997 111.133 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.2 mt -106.26 -27.83 10.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 73.040000000000006 110.969 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 63.299999999999997 110.871 179.949 . . . . . . . . 1 1 . 1 stop_ save_