data_6my1_residue ############################ # Computer software used # ############################ 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 6my1 _Structure_validation_residue.Date_analyzed 2019-11-01 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' ' ' CYS . . . . . . . . . . . . . 73.7 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.805 0.336 . . . . 61.14 110.894 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -122.08 146.19 47.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 73.24 110.898 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -93.56 129.8 39.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 75.25 110.858 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.2 mt -112.05 110.22 20.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 73.43 110.936 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.7 m -99.43 129.75 45.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 74.53 110.915 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -155.01 131.63 10.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 73.13 110.913 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt 65.05 58.19 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 74.44 110.898 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 50.16 34.16 8.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 73.22 110.947 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -135.44 160.27 38.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 75.12 110.84 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 54.8 m -145.1 129.86 18.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.901 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -139.02 151.67 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 75.14 111.154 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.7 m -92.18 132.36 36.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 63.31 111.144 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -122.19 151.97 40.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 73.3 110.931 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 79.6 m -139.03 141.1 38.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 71.52 110.882 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -52.6 -36.15 55.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 72.13 110.916 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 63.25 112.509 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 75.9 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.865 0.364 . . . . 61.14 110.82 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.9 ptt85 -122.02 145.81 47.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 73.24 110.842 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -93.49 129.65 39.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 75.25 110.948 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 41.4 mt -112.0 110.27 20.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 73.43 110.941 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.8 m -99.36 129.67 45.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 74.53 110.849 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -154.98 131.72 10.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 73.13 110.921 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.1 mtmm 65.0 58.26 0.92 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 74.44 110.881 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 50.13 34.1 7.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 73.22 110.921 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -135.55 160.28 38.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 75.12 110.885 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 49.2 m -145.12 129.94 18.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 74.44 110.891 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.74 151.62 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 75.14 111.103 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.7 m -92.03 132.21 36.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 63.31 111.178 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -122.59 149.11 44.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 73.3 110.885 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 85.5 m -135.99 145.42 46.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.047 -0.524 . . . . 71.52 110.894 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.5 ptt85 -52.96 -36.37 59.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 72.13 110.902 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.69 -0.767 . . . . 63.25 112.529 -179.957 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 73.0 m . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.835 0.35 . . . . 61.14 110.921 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -121.93 145.96 47.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 73.24 110.864 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -93.69 129.74 39.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 75.25 110.866 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.7 mt -112.02 110.11 20.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 73.43 110.979 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.3 m -99.36 129.58 45.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 74.53 110.884 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -155.01 131.87 10.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.208 -0.451 . . . . 73.13 110.974 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.9 mttt 64.85 58.11 0.98 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.158 -0.474 . . . . 74.44 110.931 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 50.3 34.19 8.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 73.22 110.934 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 -135.49 160.3 38.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.201 -0.454 . . . . 75.12 110.871 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 56.6 m -145.27 129.09 17.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 74.44 110.912 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.15 151.72 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 75.14 111.124 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.3 m -92.33 132.38 36.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 63.31 111.131 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -122.28 150.68 42.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 73.3 110.907 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 75.1 m -138.05 140.71 40.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.058 -0.519 . . . . 71.52 110.937 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -53.16 -35.99 60.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 72.13 110.846 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 C-N-CA 120.727 -0.749 . . . . 63.25 112.408 -179.885 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 76.9 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.873 0.368 . . . . 61.14 110.857 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -122.23 146.12 47.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 73.24 110.865 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -93.3 129.78 39.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 75.25 110.921 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.9 mt -112.18 110.25 20.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 73.43 110.865 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 79.5 m -99.4 129.81 45.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 74.53 110.831 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -155.0 131.41 10.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 73.13 110.964 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.8 mtmt 65.13 58.28 0.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 74.44 110.901 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 50.1 34.19 8.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 73.22 110.939 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -135.46 160.26 39.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 75.12 110.864 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 53.6 m -145.1 130.34 18.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 74.44 110.889 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -139.39 151.71 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 75.14 111.138 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.7 m -92.05 132.18 36.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 63.31 111.095 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -122.62 150.76 42.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 73.3 110.94 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 81.9 m -136.8 146.65 45.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 71.52 110.883 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -53.17 -35.71 60.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 72.13 110.918 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.81 -0.71 . . . . 63.25 112.474 179.933 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 75.5 m . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.826 0.346 . . . . 61.14 110.835 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -121.98 146.11 47.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 73.24 110.937 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -93.65 129.65 39.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.312 -0.404 . . . . 75.25 110.945 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.5 mt -112.09 110.18 20.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 73.43 110.932 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.5 m -99.25 129.79 45.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 74.53 110.909 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -155.02 131.57 10.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 73.13 110.951 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.6 mtmm 64.99 58.29 0.92 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 74.44 110.901 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 50.08 34.24 8.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 73.22 110.946 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -135.59 160.15 39.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 75.12 110.852 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 51.6 m -145.05 129.77 18.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.867 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.56 151.75 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 75.14 111.103 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.3 m -92.42 132.34 36.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 63.31 111.12 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -122.59 149.3 44.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 73.3 110.894 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 85.5 m -135.9 145.76 46.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.065 -0.516 . . . . 71.52 110.952 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -53.94 -35.95 62.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 72.13 110.871 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.69 -0.767 . . . . 63.25 112.51 -179.971 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 74.9 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.784 0.326 . . . . 61.14 110.9 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -121.95 146.31 47.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 73.24 110.845 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -93.81 129.77 40.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 75.25 110.86 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.7 mt -112.17 110.27 20.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 73.43 110.884 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.3 m -99.36 129.78 45.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 74.53 110.88 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -155.0 131.64 10.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.129 -0.487 . . . . 73.13 110.881 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt 65.02 58.21 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 74.44 110.929 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 50.1 34.19 8.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 73.22 110.918 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -135.42 160.14 39.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 75.12 110.905 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 52.7 m -144.99 130.01 18.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.905 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.89 151.65 23.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 75.14 111.122 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.4 m -92.33 132.28 36.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 63.31 111.213 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -122.44 149.5 43.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 73.3 110.923 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 84.9 m -136.6 144.11 43.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 71.52 110.889 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -52.97 -35.82 59.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 72.13 110.917 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.392 0 C-N-CA 120.718 -0.753 . . . . 63.25 112.532 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 74.0 m . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.819 0.342 . . . . 61.14 110.912 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -122.12 146.13 47.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 73.24 110.804 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -93.46 129.88 39.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.488 . . . . 75.25 110.809 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.7 mt -112.26 110.33 20.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 73.43 110.901 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.4 m -99.36 129.7 45.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 74.53 110.935 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -154.97 131.63 10.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 73.13 110.957 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 64.97 58.26 0.93 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 74.44 110.907 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 50.12 34.18 8.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 73.22 110.951 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -135.63 160.18 39.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 75.12 110.86 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 47.4 m -144.92 130.05 18.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 74.44 110.879 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.99 151.69 23.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 75.14 111.125 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.0 m -92.13 132.36 36.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 63.31 111.154 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -122.4 150.91 41.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 73.3 110.935 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 82.3 m -137.67 142.64 41.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 71.52 110.879 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -52.48 -35.86 53.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 72.13 110.893 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.679 -0.772 . . . . 63.25 112.469 -179.923 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 76.4 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.864 0.364 . . . . 61.14 110.871 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -122.0 146.23 47.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 73.24 110.816 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -93.68 129.68 39.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 75.25 110.915 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.2 mt -112.08 110.2 20.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 73.43 110.997 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.0 m -99.28 129.75 45.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 74.53 110.886 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -155.0 131.55 10.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 73.13 110.893 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt 65.04 58.27 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 74.44 110.908 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 50.01 34.26 7.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 73.22 110.92 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -135.59 160.19 39.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 75.12 110.865 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 50.7 m -144.99 130.11 18.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 74.44 110.862 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.92 151.7 23.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 75.14 111.116 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.9 m -92.29 132.31 36.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.462 . . . . 63.31 111.123 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -122.89 151.93 41.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 73.3 110.929 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 85.6 m -137.61 146.83 44.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 71.52 110.878 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -51.97 -36.02 48.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 72.13 110.912 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.795 -0.717 . . . . 63.25 112.446 -179.954 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 77.1 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.87 0.367 . . . . 61.14 110.837 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.3 ptt-85 -122.39 146.13 47.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 73.24 110.86 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -92.97 129.99 38.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.209 -0.45 . . . . 75.25 110.818 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 57.0 mt -112.28 110.2 20.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 73.43 110.918 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.4 m -99.22 129.76 45.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 74.53 110.933 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -155.12 131.58 10.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 73.13 110.891 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt 65.01 58.25 0.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.068 -0.515 . . . . 74.44 110.935 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 50.11 34.26 8.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 73.22 110.901 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -135.56 160.16 39.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 75.12 110.9 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 52.7 m -144.98 129.73 18.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 74.44 110.889 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.92 151.68 23.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 75.14 111.151 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.2 m -92.04 132.15 36.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 63.31 111.145 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -122.25 150.66 41.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 73.3 110.928 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.0 m -136.84 145.03 43.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 71.52 110.855 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -52.45 -35.94 53.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 72.13 110.814 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.741 . . . . 63.25 112.454 -179.955 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 74.5 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.852 0.358 . . . . 61.14 110.871 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -122.13 146.17 47.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 73.24 110.92 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -93.53 129.97 39.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.094 -0.503 . . . . 75.25 110.927 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.5 mt -112.2 110.11 20.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 73.43 110.989 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.8 m -99.46 129.49 45.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 74.53 110.917 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -154.95 131.5 10.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.162 -0.472 . . . . 73.13 110.947 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt 65.12 58.23 0.9 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 74.44 110.891 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 50.22 34.25 8.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 73.22 110.942 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.0 mtp85 -135.21 160.33 38.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 75.12 110.832 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 58.8 m -145.63 128.23 16.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 74.44 110.861 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.6 m -137.76 151.58 25.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 75.14 111.125 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.8 m -92.35 132.57 36.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 63.31 111.076 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -122.39 150.36 42.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 73.3 110.884 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 86.0 m -137.04 144.7 43.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 71.52 110.852 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.1 ptt180 -53.29 -36.14 60.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 72.13 110.929 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.739 . . . . 63.25 112.495 -179.953 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 73.5 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.832 0.348 . . . . 61.14 110.856 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 24.1 ptt180 -121.99 146.17 47.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 73.24 110.87 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -93.67 129.78 39.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 75.25 110.889 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.9 mt -112.14 110.25 20.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 73.43 110.891 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 77.1 m -99.4 129.89 45.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 74.53 110.892 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -154.95 131.25 10.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 73.13 110.884 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.8 mtpt 65.12 58.3 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 74.44 110.913 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 50.19 34.18 8.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 73.22 110.928 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -135.41 160.27 38.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 75.12 110.861 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 52.8 m -145.05 130.33 18.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 74.44 110.865 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -139.29 151.69 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 75.14 111.164 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.0 m -92.21 132.27 36.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 63.31 111.086 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -122.4 150.43 42.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 73.3 110.913 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 75.5 m -137.78 142.16 40.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 71.52 110.901 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -52.83 -35.84 57.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 72.13 110.821 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 63.25 112.414 -179.902 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 80.7 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.811 0.338 . . . . 61.14 110.901 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.3 ptt180 -122.4 146.77 47.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 73.24 110.814 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -93.63 129.52 39.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 75.25 110.911 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.2 mt -112.14 110.24 20.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 73.43 110.907 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.7 m -99.31 129.71 45.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 74.53 110.876 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -154.98 131.64 10.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 73.13 110.907 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt 65.06 58.14 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.503 . . . . 74.44 110.899 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 50.11 34.24 8.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 73.22 110.951 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -135.34 160.37 38.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 75.12 110.881 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 56.3 m -145.25 129.5 17.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 74.44 110.901 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.5 151.71 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 75.14 111.11 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.9 m -92.61 132.39 36.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 63.31 111.198 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -123.62 152.59 41.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 73.3 110.951 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 71.3 m -135.15 151.28 50.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 71.52 110.879 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -35.82 47.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 72.13 110.821 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.754 -0.736 . . . . 63.25 112.447 -179.925 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 77.9 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.806 0.336 . . . . 61.14 110.851 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -122.27 146.95 46.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 73.24 110.844 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -93.88 129.49 40.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 75.25 110.858 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.6 mt -112.09 110.18 20.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 73.43 110.947 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.5 m -99.36 129.83 45.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 74.53 110.973 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -155.04 131.3 10.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 73.13 110.898 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt 65.2 58.17 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 74.44 110.919 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 50.23 34.14 8.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 73.22 110.913 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 -135.13 160.24 38.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 75.12 110.829 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 57.4 m -145.48 129.23 17.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 74.44 110.871 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.31 151.64 24.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 75.14 111.133 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.6 m -92.69 132.06 37.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 63.31 111.107 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -122.88 151.01 42.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 73.3 110.907 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 70.9 m -134.83 149.62 50.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 71.52 110.879 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -53.0 -36.14 60.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 72.13 110.835 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 C-N-CA 120.799 -0.715 . . . . 63.25 112.477 -179.987 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 76.0 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.839 0.352 . . . . 61.14 110.905 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.2 ptt-85 -122.11 146.01 47.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 73.24 110.873 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -93.45 129.91 39.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 75.25 110.892 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 47.3 mt -112.3 110.26 20.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 73.43 110.94 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 79.1 m -99.37 129.85 45.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 74.53 110.884 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -155.02 131.28 10.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 73.13 110.95 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.6 mttt 65.04 58.35 0.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 74.44 110.905 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 50.24 34.09 8.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 73.22 110.876 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 -135.02 160.28 38.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 75.12 110.874 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 56.4 m -145.36 129.08 17.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.452 . . . . 74.44 110.885 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.3 151.7 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 75.14 111.113 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.0 m -92.16 132.28 36.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 63.31 111.129 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -122.5 149.31 44.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 73.3 110.92 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 85.3 m -136.08 144.1 44.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 71.52 110.935 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.2 ptt85 -52.76 -35.76 56.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 72.13 110.889 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 63.25 112.507 -179.919 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 86.0 m . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.889 0.376 . . . . 61.14 110.84 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 21.9 ptt180 -122.07 145.83 47.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 73.24 110.908 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -93.12 129.82 38.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 75.25 110.873 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.2 mt -112.24 110.13 20.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 73.43 110.998 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.1 m -99.19 129.88 45.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 74.53 110.898 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -155.09 131.42 10.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.19 -0.459 . . . . 73.13 110.95 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.5 mttt 65.03 58.25 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 74.44 110.923 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 50.18 34.12 8.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.424 . . . . 73.22 110.933 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -135.15 160.36 38.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 75.12 110.851 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 54.8 m -145.44 129.16 17.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 74.44 110.871 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.15 151.64 25.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 75.14 111.16 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.6 m -92.06 132.28 36.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 63.31 111.154 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -123.3 152.91 40.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 73.3 110.911 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 72.7 m -136.82 150.66 48.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.496 . . . . 71.52 110.846 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.8 ptt85 -51.98 -36.02 48.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.491 . . . . 72.13 110.931 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.634 -0.793 . . . . 63.25 112.519 -179.965 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 76.5 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.799 0.333 . . . . 61.14 110.921 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -122.39 146.49 47.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 73.24 110.904 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -93.34 129.94 39.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 75.25 110.898 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.1 mt -112.24 110.22 20.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.947 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.8 m -99.42 129.68 45.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 74.53 110.874 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -155.04 131.46 10.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 73.13 110.916 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.4 mttt 65.07 58.3 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 74.44 110.866 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 50.28 34.1 8.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 73.22 110.946 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 mtp85 -135.1 160.27 38.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 75.12 110.841 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 59.4 m -145.69 128.7 16.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 74.44 110.861 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.6 m -138.32 151.54 24.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 75.14 111.152 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.9 m -92.06 132.52 36.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 63.31 111.2 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -122.24 150.98 41.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 73.3 110.894 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.6 m -137.19 145.34 43.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.485 . . . . 71.52 110.863 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -53.24 -35.97 60.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.499 . . . . 72.13 110.868 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.239 0 C-N-CA 120.691 -0.766 . . . . 63.25 112.427 -179.935 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 84.0 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.798 0.332 . . . . 61.14 110.871 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -122.13 146.16 47.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 73.24 110.872 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -93.26 129.7 39.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 75.25 110.933 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.9 mt -112.19 110.24 20.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 73.43 110.929 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 79.4 m -99.3 129.85 45.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 74.53 110.917 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -154.99 131.52 10.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 73.13 110.907 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.0 mttt 64.96 58.31 0.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 74.44 110.864 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 50.29 34.01 8.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 73.22 110.868 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -135.1 160.25 38.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.286 -0.416 . . . . 75.12 110.848 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 56.5 m -145.28 129.06 17.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 74.44 110.885 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.18 151.74 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 75.14 111.171 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.3 m -92.32 132.28 36.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.471 . . . . 63.31 111.14 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -123.35 152.66 41.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 73.3 111.012 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 71.9 m -136.22 151.02 49.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.087 -0.506 . . . . 71.52 110.879 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -52.12 -35.76 49.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 72.13 110.858 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 C-N-CA 120.722 -0.752 . . . . 63.25 112.434 -179.958 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 82.4 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.766 0.317 . . . . 61.14 110.864 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 27.1 ptt180 -123.4 145.49 48.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 73.24 110.929 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -90.04 129.84 36.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 75.25 110.862 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 79.0 mt -112.18 110.15 20.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 73.43 110.978 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.2 m -99.32 129.3 45.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 74.53 110.9 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -154.96 132.32 11.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 73.13 110.885 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.2 mttt 64.86 57.89 0.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 74.44 110.921 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 50.36 34.23 8.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 73.22 110.912 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -135.58 160.29 38.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 75.12 110.848 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 58.2 m -144.88 128.14 16.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.95 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.47 151.73 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 75.14 111.143 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.8 m -91.23 131.86 36.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 63.31 111.139 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -121.64 152.53 39.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.261 -0.427 . . . . 73.3 110.954 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 73.2 m -136.47 149.16 48.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 71.52 110.915 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -52.81 -35.91 57.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 72.13 110.772 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.708 -0.758 . . . . 63.25 112.458 -179.896 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 74.3 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.876 0.37 . . . . 61.14 110.909 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -122.44 146.11 47.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 73.24 110.831 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -92.34 129.99 38.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 75.25 110.872 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.7 mt -112.25 110.19 20.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 73.43 110.921 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.8 m -99.44 129.65 45.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 74.53 110.836 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -155.08 131.17 10.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 73.13 110.911 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 65.32 58.33 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 74.44 110.878 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 50.3 34.01 8.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 73.22 110.893 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -134.91 160.27 38.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 75.12 110.896 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 59.4 m -145.81 128.88 16.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 74.44 110.897 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.6 m -138.79 151.57 23.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.093 -0.503 . . . . 75.14 111.098 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.9 m -91.68 132.19 36.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 63.31 111.144 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -122.59 152.67 40.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 73.3 110.972 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 77.7 m -135.73 150.49 49.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 71.52 110.877 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -52.05 -35.87 48.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 72.13 110.871 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.786 -0.721 . . . . 63.25 112.471 -179.932 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 74.8 m . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.779 0.323 . . . . 61.14 110.904 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -122.65 145.35 48.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 73.24 110.931 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -92.39 130.31 38.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 75.25 110.891 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.7 mt -112.59 110.17 20.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 73.43 110.938 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.5 m -99.47 129.51 45.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 74.53 110.857 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -155.05 131.51 10.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.144 -0.48 . . . . 73.13 110.901 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.2 mtmt 65.08 58.38 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.492 . . . . 74.44 110.929 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 50.23 34.23 8.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 73.22 110.899 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -134.94 160.35 38.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 75.12 110.894 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 63.3 m -146.05 128.03 15.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 74.44 110.935 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.5 m -138.23 150.92 24.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 75.14 111.14 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.2 m -91.38 132.39 36.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 63.31 111.119 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -121.93 151.11 41.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 73.3 110.879 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 84.1 m -137.32 143.46 42.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 71.52 110.903 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -52.15 -35.83 49.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 72.13 110.865 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.71 -0.757 . . . . 63.25 112.53 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.708 0 CA-C-O 125.428 2.537 . . . . 73.45 106.407 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 73.7 m -109.04 134.48 51.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 111.588 -2.551 . . . . 61.14 110.894 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -122.08 146.19 47.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 73.24 110.898 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -93.56 129.8 39.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 75.25 110.858 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.2 mt -112.05 110.22 20.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 73.43 110.936 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.7 m -99.43 129.75 45.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 74.53 110.915 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -155.01 131.63 10.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 73.13 110.913 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt 65.05 58.19 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 74.44 110.898 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 50.16 34.16 8.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 73.22 110.947 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -135.44 160.27 38.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 75.12 110.84 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 54.8 m -145.1 129.86 18.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.901 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -139.02 151.67 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 75.14 111.154 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.7 m -92.18 132.36 36.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 63.31 111.144 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -122.19 151.97 40.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 73.3 110.931 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 79.6 m -139.03 141.1 38.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 71.52 110.882 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -52.6 -36.15 55.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 72.13 110.916 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.49 -34.92 87.57 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 63.25 112.509 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 -63.04 -48.88 76.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.851 0.358 . . . . 71.53 110.896 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 62.24 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.665 0 CA-C-O 125.409 2.528 . . . . 73.45 106.41 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 75.9 m -109.18 134.47 51.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 111.63 -2.532 . . . . 61.14 110.82 -179.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.9 ptt85 -122.02 145.81 47.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 73.24 110.842 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -93.49 129.65 39.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 75.25 110.948 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 41.4 mt -112.0 110.27 20.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 73.43 110.941 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.8 m -99.36 129.67 45.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 74.53 110.849 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -154.98 131.72 10.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 73.13 110.921 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.1 mtmm 65.0 58.26 0.92 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 74.44 110.881 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 50.13 34.1 7.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 73.22 110.921 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -135.55 160.28 38.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 75.12 110.885 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 49.2 m -145.12 129.94 18.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 74.44 110.891 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.74 151.62 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 75.14 111.103 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.7 m -92.03 132.21 36.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 63.31 111.178 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -122.59 149.11 44.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 73.3 110.885 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 85.5 m -135.99 145.42 46.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.047 -0.524 . . . . 71.52 110.894 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.5 ptt85 -52.96 -36.37 59.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 72.13 110.902 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -86.93 57.82 4.62 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.69 -0.767 . . . . 63.25 112.529 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.1 ttp85 -79.84 90.23 5.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.758 0.313 . . . . 71.53 110.839 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 62.24 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.699 0 CA-C-O 125.396 2.522 . . . . 73.45 106.442 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 73.0 m -109.02 134.66 51.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 111.631 -2.531 . . . . 61.14 110.921 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -121.93 145.96 47.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 73.24 110.864 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -93.69 129.74 39.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 75.25 110.866 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.7 mt -112.02 110.11 20.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 73.43 110.979 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.3 m -99.36 129.58 45.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 74.53 110.884 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -155.01 131.87 10.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.208 -0.451 . . . . 73.13 110.974 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.9 mttt 64.85 58.11 0.98 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.158 -0.474 . . . . 74.44 110.931 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 50.3 34.19 8.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 73.22 110.934 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 -135.49 160.3 38.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.201 -0.454 . . . . 75.12 110.871 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 56.6 m -145.27 129.09 17.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 74.44 110.912 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.15 151.72 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 75.14 111.124 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.3 m -92.33 132.38 36.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 63.31 111.131 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -122.28 150.68 42.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 73.3 110.907 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 75.1 m -138.05 140.71 40.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.058 -0.519 . . . . 71.52 110.937 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -53.16 -35.99 60.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 72.13 110.846 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.86 -33.4 43.12 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.727 -0.749 . . . . 63.25 112.408 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -71.1 83.18 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.333 . . . . 71.53 110.883 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 62.24 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.706 0 CA-C-O 125.422 2.534 . . . . 73.45 106.396 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 76.9 m -109.08 134.47 51.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 111.614 -2.539 . . . . 61.14 110.857 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -122.23 146.12 47.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 73.24 110.865 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -93.3 129.78 39.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 75.25 110.921 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.9 mt -112.18 110.25 20.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 73.43 110.865 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 79.5 m -99.4 129.81 45.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 74.53 110.831 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -155.0 131.41 10.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 73.13 110.964 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.8 mtmt 65.13 58.28 0.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 74.44 110.901 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 50.1 34.19 8.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 73.22 110.939 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -135.46 160.26 39.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 75.12 110.864 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 53.6 m -145.1 130.34 18.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 74.44 110.889 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -139.39 151.71 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 75.14 111.138 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.7 m -92.05 132.18 36.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 63.31 111.095 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -122.62 150.76 42.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 73.3 110.94 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 81.9 m -136.8 146.65 45.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 71.52 110.883 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -53.17 -35.71 60.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 72.13 110.918 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.17 -37.66 59.56 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.81 -0.71 . . . . 63.25 112.474 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.2 ttm-85 -80.54 82.48 6.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.83 0.348 . . . . 71.53 110.91 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 62.24 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.715 0 CA-C-O 125.422 2.534 . . . . 73.45 106.423 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 75.5 m -108.93 134.49 51.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 111.618 -2.537 . . . . 61.14 110.835 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -121.98 146.11 47.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 73.24 110.937 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -93.65 129.65 39.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.312 -0.404 . . . . 75.25 110.945 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.5 mt -112.09 110.18 20.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 73.43 110.932 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.5 m -99.25 129.79 45.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 74.53 110.909 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -155.02 131.57 10.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 73.13 110.951 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.6 mtmm 64.99 58.29 0.92 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 74.44 110.901 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 50.08 34.24 8.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 73.22 110.946 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -135.59 160.15 39.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 75.12 110.852 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 51.6 m -145.05 129.77 18.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.867 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.56 151.75 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 75.14 111.103 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.3 m -92.42 132.34 36.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 63.31 111.12 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -122.59 149.3 44.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 73.3 110.894 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 85.5 m -135.9 145.76 46.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.065 -0.516 . . . . 71.52 110.952 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -53.94 -35.95 62.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 72.13 110.871 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -82.05 57.82 4.95 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.69 -0.767 . . . . 63.25 112.51 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -114.64 174.86 5.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.789 0.328 . . . . 71.53 110.832 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 62.24 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.679 0 CA-C-O 125.347 2.499 . . . . 73.45 106.45 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 74.9 m -108.85 134.45 51.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 111.66 -2.518 . . . . 61.14 110.9 -179.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -121.95 146.31 47.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 73.24 110.845 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -93.81 129.77 40.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 75.25 110.86 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.7 mt -112.17 110.27 20.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 73.43 110.884 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.3 m -99.36 129.78 45.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 74.53 110.88 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -155.0 131.64 10.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.129 -0.487 . . . . 73.13 110.881 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt 65.02 58.21 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 74.44 110.929 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 50.1 34.19 8.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 73.22 110.918 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -135.42 160.14 39.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 75.12 110.905 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 52.7 m -144.99 130.01 18.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.905 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.89 151.65 23.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 75.14 111.122 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.4 m -92.33 132.28 36.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 63.31 111.213 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -122.44 149.5 43.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 73.3 110.923 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 84.9 m -136.6 144.11 43.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 71.52 110.889 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -52.97 -35.82 59.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 72.13 110.917 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -108.52 45.44 1.31 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.718 -0.753 . . . . 63.25 112.532 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -80.43 58.27 3.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.821 0.343 . . . . 71.53 110.911 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 62.24 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.714 0 CA-C-O 125.384 2.516 . . . . 73.45 106.415 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 74.0 m -108.83 134.49 51.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 111.678 -2.51 . . . . 61.14 110.912 -179.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -122.12 146.13 47.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 73.24 110.804 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -93.46 129.88 39.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.488 . . . . 75.25 110.809 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.7 mt -112.26 110.33 20.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 73.43 110.901 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.4 m -99.36 129.7 45.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 74.53 110.935 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -154.97 131.63 10.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 73.13 110.957 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 64.97 58.26 0.93 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 74.44 110.907 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 50.12 34.18 8.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 73.22 110.951 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -135.63 160.18 39.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 75.12 110.86 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 47.4 m -144.92 130.05 18.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 74.44 110.879 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.99 151.69 23.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 75.14 111.125 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.0 m -92.13 132.36 36.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 63.31 111.154 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -122.4 150.91 41.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 73.3 110.935 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 82.3 m -137.67 142.64 41.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 71.52 110.879 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -52.48 -35.86 53.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 72.13 110.893 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.43 58.58 4.41 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.679 -0.772 . . . . 63.25 112.469 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -140.92 141.94 34.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.737 0.303 . . . . 71.53 110.923 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 62.24 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.728 0 CA-C-O 125.412 2.529 . . . . 73.45 106.402 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 76.4 m -109.65 134.44 51.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 111.649 -2.523 . . . . 61.14 110.871 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -122.0 146.23 47.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 73.24 110.816 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -93.68 129.68 39.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 75.25 110.915 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.2 mt -112.08 110.2 20.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 73.43 110.997 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.0 m -99.28 129.75 45.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 74.53 110.886 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -155.0 131.55 10.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 73.13 110.893 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt 65.04 58.27 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 74.44 110.908 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 50.01 34.26 7.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 73.22 110.92 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -135.59 160.19 39.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 75.12 110.865 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 50.7 m -144.99 130.11 18.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 74.44 110.862 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.92 151.7 23.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 75.14 111.116 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.9 m -92.29 132.31 36.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.462 . . . . 63.31 111.123 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -122.89 151.93 41.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 73.3 110.929 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 85.6 m -137.61 146.83 44.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 71.52 110.878 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -51.97 -36.02 48.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 72.13 110.912 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.91 -33.46 50.15 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.795 -0.717 . . . . 63.25 112.446 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.4 tpt85 -59.99 -46.52 89.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.787 0.327 . . . . 71.53 110.861 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 62.24 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.656 0 CA-C-O 125.399 2.524 . . . . 73.45 106.375 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 77.1 m -109.0 134.32 51.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 111.597 -2.547 . . . . 61.14 110.837 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.3 ptt-85 -122.39 146.13 47.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 73.24 110.86 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -92.97 129.99 38.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.209 -0.45 . . . . 75.25 110.818 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 57.0 mt -112.28 110.2 20.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 73.43 110.918 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.4 m -99.22 129.76 45.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 74.53 110.933 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -155.12 131.58 10.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 73.13 110.891 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt 65.01 58.25 0.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.068 -0.515 . . . . 74.44 110.935 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 50.11 34.26 8.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 73.22 110.901 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -135.56 160.16 39.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 75.12 110.9 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 52.7 m -144.98 129.73 18.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 74.44 110.889 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.92 151.68 23.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 75.14 111.151 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.2 m -92.04 132.15 36.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 63.31 111.145 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -122.25 150.66 41.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 73.3 110.928 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.0 m -136.84 145.03 43.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 71.52 110.855 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -52.45 -35.94 53.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 72.13 110.814 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.14 47.36 3.12 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.741 . . . . 63.25 112.454 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -77.33 85.31 3.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.819 0.342 . . . . 71.53 110.847 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 62.24 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.723 0 CA-C-O 125.432 2.539 . . . . 73.45 106.466 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 74.5 m -108.96 134.5 51.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 111.642 -2.526 . . . . 61.14 110.871 -179.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -122.13 146.17 47.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 73.24 110.92 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -93.53 129.97 39.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.094 -0.503 . . . . 75.25 110.927 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.5 mt -112.2 110.11 20.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 73.43 110.989 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.8 m -99.46 129.49 45.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 74.53 110.917 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -154.95 131.5 10.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.162 -0.472 . . . . 73.13 110.947 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt 65.12 58.23 0.9 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 74.44 110.891 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 50.22 34.25 8.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 73.22 110.942 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.0 mtp85 -135.21 160.33 38.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 75.12 110.832 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 58.8 m -145.63 128.23 16.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 74.44 110.861 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.6 m -137.76 151.58 25.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 75.14 111.125 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.8 m -92.35 132.57 36.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 63.31 111.076 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -122.39 150.36 42.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 73.3 110.884 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 86.0 m -137.04 144.7 43.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 71.52 110.852 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.1 ptt180 -53.29 -36.14 60.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 72.13 110.929 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -91.38 55.91 3.15 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.739 . . . . 63.25 112.495 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -64.23 -55.88 18.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 71.53 110.883 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 62.24 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.714 0 CA-C-O 125.47 2.557 . . . . 73.45 106.422 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 73.5 m -108.99 134.71 51.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 111.585 -2.552 . . . . 61.14 110.856 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 24.1 ptt180 -121.99 146.17 47.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 73.24 110.87 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -93.67 129.78 39.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 75.25 110.889 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.9 mt -112.14 110.25 20.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 73.43 110.891 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 77.1 m -99.4 129.89 45.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 74.53 110.892 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -154.95 131.25 10.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 73.13 110.884 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.8 mtpt 65.12 58.3 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 74.44 110.913 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 50.19 34.18 8.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 73.22 110.928 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -135.41 160.27 38.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 75.12 110.861 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 52.8 m -145.05 130.33 18.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 74.44 110.865 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -139.29 151.69 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 75.14 111.164 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.0 m -92.21 132.27 36.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 63.31 111.086 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -122.4 150.43 42.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 73.3 110.913 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 75.5 m -137.78 142.16 40.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 71.52 110.901 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -52.83 -35.84 57.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 72.13 110.821 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.58 -40.35 54.99 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 63.25 112.414 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.12 -42.21 80.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.772 0.32 . . . . 71.53 110.809 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 62.24 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.699 0 CA-C-O 125.422 2.534 . . . . 73.45 106.372 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 80.7 m -108.88 133.74 52.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 111.603 -2.544 . . . . 61.14 110.901 -179.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.3 ptt180 -122.4 146.77 47.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 73.24 110.814 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -93.63 129.52 39.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 75.25 110.911 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.2 mt -112.14 110.24 20.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 73.43 110.907 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.7 m -99.31 129.71 45.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 74.53 110.876 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -154.98 131.64 10.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 73.13 110.907 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt 65.06 58.14 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.503 . . . . 74.44 110.899 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 50.11 34.24 8.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 73.22 110.951 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -135.34 160.37 38.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 75.12 110.881 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 56.3 m -145.25 129.5 17.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 74.44 110.901 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.5 151.71 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 75.14 111.11 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.9 m -92.61 132.39 36.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 63.31 111.198 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -123.62 152.59 41.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 73.3 110.951 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 71.3 m -135.15 151.28 50.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 71.52 110.879 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -35.82 47.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 72.13 110.821 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -84.56 55.25 4.99 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.754 -0.736 . . . . 63.25 112.447 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -97.61 102.07 13.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.761 0.315 . . . . 71.53 110.903 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.419 . . . . 62.24 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.68 0 CA-C-O 125.427 2.537 . . . . 73.45 106.456 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 77.9 m -109.04 133.77 52.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 111.623 -2.535 . . . . 61.14 110.851 -179.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -122.27 146.95 46.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 73.24 110.844 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -93.88 129.49 40.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 75.25 110.858 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.6 mt -112.09 110.18 20.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 73.43 110.947 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.5 m -99.36 129.83 45.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 74.53 110.973 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -155.04 131.3 10.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 73.13 110.898 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt 65.2 58.17 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 74.44 110.919 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 50.23 34.14 8.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 73.22 110.913 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 -135.13 160.24 38.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 75.12 110.829 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 57.4 m -145.48 129.23 17.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 74.44 110.871 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.31 151.64 24.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 75.14 111.133 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.6 m -92.69 132.06 37.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 63.31 111.107 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -122.88 151.01 42.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 73.3 110.907 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 70.9 m -134.83 149.62 50.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 71.52 110.879 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -53.0 -36.14 60.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 72.13 110.835 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.38 -62.09 4.11 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.799 -0.715 . . . . 63.25 112.477 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 51.97 44.35 29.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.867 0.365 . . . . 71.53 110.877 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 62.24 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.723 0 CA-C-O 125.463 2.554 . . . . 73.45 106.425 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 76.0 m -108.94 134.44 51.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 111.569 -2.56 . . . . 61.14 110.905 -179.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.2 ptt-85 -122.11 146.01 47.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 73.24 110.873 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -93.45 129.91 39.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 75.25 110.892 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 47.3 mt -112.3 110.26 20.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 73.43 110.94 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 79.1 m -99.37 129.85 45.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 74.53 110.884 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -155.02 131.28 10.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 73.13 110.95 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.6 mttt 65.04 58.35 0.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 74.44 110.905 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 50.24 34.09 8.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 73.22 110.876 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 -135.02 160.28 38.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 75.12 110.874 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 56.4 m -145.36 129.08 17.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.452 . . . . 74.44 110.885 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.3 151.7 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 75.14 111.113 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.0 m -92.16 132.28 36.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 63.31 111.129 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -122.5 149.31 44.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 73.3 110.92 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 85.3 m -136.08 144.1 44.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 71.52 110.935 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.2 ptt85 -52.76 -35.76 56.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 72.13 110.889 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -106.07 44.98 1.37 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 63.25 112.507 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -52.37 -52.69 52.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.815 0.341 . . . . 71.53 110.853 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 62.24 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.699 0 CA-C-O 125.41 2.529 . . . . 73.45 106.354 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 86.0 m -109.36 133.84 52.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 111.612 -2.54 . . . . 61.14 110.84 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 21.9 ptt180 -122.07 145.83 47.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 73.24 110.908 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -93.12 129.82 38.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 75.25 110.873 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.2 mt -112.24 110.13 20.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 73.43 110.998 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.1 m -99.19 129.88 45.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 74.53 110.898 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -155.09 131.42 10.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.19 -0.459 . . . . 73.13 110.95 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.5 mttt 65.03 58.25 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 74.44 110.923 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 50.18 34.12 8.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.424 . . . . 73.22 110.933 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -135.15 160.36 38.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 75.12 110.851 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 54.8 m -145.44 129.16 17.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 74.44 110.871 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.15 151.64 25.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 75.14 111.16 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.6 m -92.06 132.28 36.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 63.31 111.154 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -123.3 152.91 40.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 73.3 110.911 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 72.7 m -136.82 150.66 48.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.496 . . . . 71.52 110.846 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.8 ptt85 -51.98 -36.02 48.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.491 . . . . 72.13 110.931 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.64 -60.99 7.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.634 -0.793 . . . . 63.25 112.519 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -73.35 -37.32 66.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.756 0.312 . . . . 71.53 110.818 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 62.24 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.638 0 CA-C-O 125.395 2.522 . . . . 73.45 106.365 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 76.5 m -108.85 134.29 51.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 111.622 -2.535 . . . . 61.14 110.921 -179.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -122.39 146.49 47.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 73.24 110.904 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -93.34 129.94 39.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 75.25 110.898 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.1 mt -112.24 110.22 20.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.947 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.8 m -99.42 129.68 45.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 74.53 110.874 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -155.04 131.46 10.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 73.13 110.916 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.4 mttt 65.07 58.3 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 74.44 110.866 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 50.28 34.1 8.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 73.22 110.946 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 mtp85 -135.1 160.27 38.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 75.12 110.841 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 59.4 m -145.69 128.7 16.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 74.44 110.861 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.6 m -138.32 151.54 24.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 75.14 111.152 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.9 m -92.06 132.52 36.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 63.31 111.2 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -122.24 150.98 41.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 73.3 110.894 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.6 m -137.19 145.34 43.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.485 . . . . 71.52 110.863 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -53.24 -35.97 60.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.499 . . . . 72.13 110.868 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.63 -33.59 59.51 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.691 -0.766 . . . . 63.25 112.427 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.4 mtt-85 -74.36 85.47 1.97 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.791 0.329 . . . . 71.53 110.85 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 62.24 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.704 0 CA-C-O 125.451 2.548 . . . . 73.45 106.438 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 84.0 m -109.29 133.69 52.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 111.595 -2.548 . . . . 61.14 110.871 -179.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -122.13 146.16 47.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 73.24 110.872 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -93.26 129.7 39.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 75.25 110.933 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.9 mt -112.19 110.24 20.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 73.43 110.929 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 79.4 m -99.3 129.85 45.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 74.53 110.917 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -154.99 131.52 10.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 73.13 110.907 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.0 mttt 64.96 58.31 0.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 74.44 110.864 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 50.29 34.01 8.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 73.22 110.868 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -135.1 160.25 38.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.286 -0.416 . . . . 75.12 110.848 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 56.5 m -145.28 129.06 17.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 74.44 110.885 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.18 151.74 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 75.14 111.171 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.3 m -92.32 132.28 36.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.471 . . . . 63.31 111.14 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -123.35 152.66 41.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 73.3 111.012 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 71.9 m -136.22 151.02 49.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.087 -0.506 . . . . 71.52 110.879 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -52.12 -35.76 49.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 72.13 110.858 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.24 -33.33 38.3 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.722 -0.752 . . . . 63.25 112.434 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -52.22 -55.37 21.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.75 0.309 . . . . 71.53 110.828 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 62.24 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.686 0 CA-C-O 125.43 2.538 . . . . 73.45 106.36 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 82.4 m -109.29 133.79 52.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 111.573 -2.558 . . . . 61.14 110.864 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 27.1 ptt180 -123.4 145.49 48.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 73.24 110.929 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -90.04 129.84 36.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 75.25 110.862 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 79.0 mt -112.18 110.15 20.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 73.43 110.978 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.2 m -99.32 129.3 45.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 74.53 110.9 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -154.96 132.32 11.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 73.13 110.885 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.2 mttt 64.86 57.89 0.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 74.44 110.921 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 50.36 34.23 8.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 73.22 110.912 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -135.58 160.29 38.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 75.12 110.848 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 58.2 m -144.88 128.14 16.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.95 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.47 151.73 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 75.14 111.143 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.8 m -91.23 131.86 36.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 63.31 111.139 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -121.64 152.53 39.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.261 -0.427 . . . . 73.3 110.954 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 73.2 m -136.47 149.16 48.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 71.52 110.915 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -52.81 -35.91 57.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 72.13 110.772 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -91.18 61.45 2.94 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.708 -0.758 . . . . 63.25 112.458 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 78.7 mtm-85 -63.12 -65.57 0.67 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.773 0.321 . . . . 71.53 110.824 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 62.24 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.726 0 CA-C-O 125.413 2.53 . . . . 73.45 106.444 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 74.3 m -108.96 133.92 52.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 111.685 -2.507 . . . . 61.14 110.909 -179.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -122.44 146.11 47.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 73.24 110.831 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -92.34 129.99 38.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 75.25 110.872 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.7 mt -112.25 110.19 20.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 73.43 110.921 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.8 m -99.44 129.65 45.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 74.53 110.836 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -155.08 131.17 10.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 73.13 110.911 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 65.32 58.33 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 74.44 110.878 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 50.3 34.01 8.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 73.22 110.893 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -134.91 160.27 38.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 75.12 110.896 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 59.4 m -145.81 128.88 16.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 74.44 110.897 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.6 m -138.79 151.57 23.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.093 -0.503 . . . . 75.14 111.098 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.9 m -91.68 132.19 36.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 63.31 111.144 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -122.59 152.67 40.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 73.3 110.972 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 77.7 m -135.73 150.49 49.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 71.52 110.877 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -52.05 -35.87 48.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 72.13 110.871 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -93.0 37.81 3.31 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.786 -0.721 . . . . 63.25 112.471 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -56.83 -54.05 50.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.776 0.322 . . . . 71.53 110.834 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 62.24 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.666 0 CA-C-O 125.415 2.531 . . . . 73.45 106.415 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 74.8 m -109.04 134.11 52.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 111.603 -2.544 . . . . 61.14 110.904 -179.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -122.65 145.35 48.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 73.24 110.931 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -92.39 130.31 38.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 75.25 110.891 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.7 mt -112.59 110.17 20.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 73.43 110.938 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.5 m -99.47 129.51 45.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 74.53 110.857 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -155.05 131.51 10.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.144 -0.48 . . . . 73.13 110.901 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.2 mtmt 65.08 58.38 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.492 . . . . 74.44 110.929 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 50.23 34.23 8.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 73.22 110.899 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -134.94 160.35 38.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 75.12 110.894 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 63.3 m -146.05 128.03 15.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 74.44 110.935 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.5 m -138.23 150.92 24.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 75.14 111.14 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.2 m -91.38 132.39 36.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 63.31 111.119 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -121.93 151.11 41.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 73.3 110.879 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 84.1 m -137.32 143.46 42.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 71.52 110.903 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -52.15 -35.83 49.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 72.13 110.865 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.79 -33.52 49.51 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.71 -0.757 . . . . 63.25 112.53 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 46.6 mtt180 -76.87 65.89 2.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.749 0.309 . . . . 71.53 110.913 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 62.24 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 73.7 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.805 0.336 . . . . 61.14 110.894 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -122.08 146.19 47.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 73.24 110.898 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -93.56 129.8 39.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 75.25 110.858 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.2 mt -112.05 110.22 20.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 72.14 110.936 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.7 m -99.43 129.75 45.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 74.53 110.915 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -155.01 131.63 10.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 73.13 110.913 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt 65.05 58.19 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 70.33 110.898 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 50.16 34.16 8.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 70.13 110.947 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -135.44 160.27 38.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 72.1 110.84 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 54.8 m -145.1 129.86 18.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.901 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -139.02 151.67 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 74.23 111.154 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.7 m -92.18 132.36 36.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 63.31 111.144 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -122.19 151.97 40.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 72.52 110.931 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 79.6 m -139.03 141.1 38.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 63.15 110.882 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -52.6 -36.15 55.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 71.24 110.916 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 63.25 112.509 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 75.9 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.865 0.364 . . . . 61.14 110.82 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.469 ' NH1' HD11 ' A' ' 5' ' ' LEU . 15.9 ptt85 -122.02 145.81 47.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 73.24 110.842 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -93.49 129.65 39.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 75.25 110.948 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.469 HD11 ' NH1' ' A' ' 3' ' ' ARG . 41.4 mt -112.0 110.27 20.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 72.14 110.941 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.8 m -99.36 129.67 45.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 74.53 110.849 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -154.98 131.72 10.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 73.13 110.921 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.1 mtmm 65.0 58.26 0.92 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 70.33 110.881 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 50.13 34.1 7.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 70.13 110.921 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -135.55 160.28 38.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 72.1 110.885 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 49.2 m -145.12 129.94 18.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 74.44 110.891 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.74 151.62 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 74.23 111.103 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.7 m -92.03 132.21 36.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 63.31 111.178 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -122.59 149.11 44.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 72.52 110.885 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 85.5 m -135.99 145.42 46.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.047 -0.524 . . . . 63.15 110.894 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.5 ptt85 -52.96 -36.37 59.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 71.24 110.902 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.69 -0.767 . . . . 63.25 112.529 -179.957 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 73.0 m . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.835 0.35 . . . . 61.14 110.921 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -121.93 145.96 47.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 73.24 110.864 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -93.69 129.74 39.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 75.25 110.866 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.7 mt -112.02 110.11 20.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 72.14 110.979 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.3 m -99.36 129.58 45.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 74.53 110.884 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -155.01 131.87 10.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.208 -0.451 . . . . 73.13 110.974 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.9 mttt 64.85 58.11 0.98 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.158 -0.474 . . . . 70.33 110.931 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 50.3 34.19 8.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 70.13 110.934 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 -135.49 160.3 38.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.201 -0.454 . . . . 72.1 110.871 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 56.6 m -145.27 129.09 17.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 74.44 110.912 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.15 151.72 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 74.23 111.124 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.3 m -92.33 132.38 36.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 63.31 111.131 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -122.28 150.68 42.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 72.52 110.907 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 75.1 m -138.05 140.71 40.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.058 -0.519 . . . . 63.15 110.937 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -53.16 -35.99 60.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 71.24 110.846 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 C-N-CA 120.727 -0.749 . . . . 63.25 112.408 -179.885 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 76.9 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.873 0.368 . . . . 61.14 110.857 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -122.23 146.12 47.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 73.24 110.865 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -93.3 129.78 39.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 75.25 110.921 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.9 mt -112.18 110.25 20.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 72.14 110.865 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 79.5 m -99.4 129.81 45.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 74.53 110.831 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -155.0 131.41 10.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 73.13 110.964 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.8 mtmt 65.13 58.28 0.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 70.33 110.901 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 50.1 34.19 8.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 70.13 110.939 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -135.46 160.26 39.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 72.1 110.864 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 53.6 m -145.1 130.34 18.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 74.44 110.889 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -139.39 151.71 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 74.23 111.138 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.7 m -92.05 132.18 36.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 63.31 111.095 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -122.62 150.76 42.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 72.52 110.94 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 81.9 m -136.8 146.65 45.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 63.15 110.883 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -53.17 -35.71 60.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 71.24 110.918 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.81 -0.71 . . . . 63.25 112.474 179.933 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 75.5 m . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.826 0.346 . . . . 61.14 110.835 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.684 ' HD2' HD21 ' A' ' 5' ' ' LEU . 2.1 ptp180 -121.98 146.11 47.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 73.24 110.937 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -93.65 129.65 39.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.312 -0.404 . . . . 75.25 110.945 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.684 HD21 ' HD2' ' A' ' 3' ' ' ARG . 42.5 mt -112.09 110.18 20.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 72.14 110.932 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.5 m -99.25 129.79 45.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 74.53 110.909 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -155.02 131.57 10.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 73.13 110.951 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.6 mtmm 64.99 58.29 0.92 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 70.33 110.901 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 50.08 34.24 8.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 70.13 110.946 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -135.59 160.15 39.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 72.1 110.852 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 51.6 m -145.05 129.77 18.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.867 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.56 151.75 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 74.23 111.103 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.3 m -92.42 132.34 36.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 63.31 111.12 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -122.59 149.3 44.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 72.52 110.894 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 85.5 m -135.9 145.76 46.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.065 -0.516 . . . . 63.15 110.952 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -53.94 -35.95 62.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 71.24 110.871 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.69 -0.767 . . . . 63.25 112.51 -179.971 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 74.9 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.784 0.326 . . . . 61.14 110.9 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -121.95 146.31 47.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 73.24 110.845 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -93.81 129.77 40.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 75.25 110.86 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.7 mt -112.17 110.27 20.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 72.14 110.884 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.3 m -99.36 129.78 45.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 74.53 110.88 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -155.0 131.64 10.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.129 -0.487 . . . . 73.13 110.881 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt 65.02 58.21 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 70.33 110.929 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 50.1 34.19 8.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 70.13 110.918 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -135.42 160.14 39.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 72.1 110.905 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 52.7 m -144.99 130.01 18.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.905 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.89 151.65 23.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 74.23 111.122 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.4 m -92.33 132.28 36.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 63.31 111.213 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -122.44 149.5 43.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 72.52 110.923 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 84.9 m -136.6 144.11 43.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 63.15 110.889 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -52.97 -35.82 59.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 71.24 110.917 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.392 0 C-N-CA 120.718 -0.753 . . . . 63.25 112.532 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 74.0 m . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.819 0.342 . . . . 61.14 110.912 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -122.12 146.13 47.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 73.24 110.804 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -93.46 129.88 39.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.488 . . . . 75.25 110.809 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.7 mt -112.26 110.33 20.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 72.14 110.901 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.4 m -99.36 129.7 45.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 74.53 110.935 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -154.97 131.63 10.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 73.13 110.957 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 64.97 58.26 0.93 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 70.33 110.907 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 50.12 34.18 8.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 70.13 110.951 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -135.63 160.18 39.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 72.1 110.86 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 47.4 m -144.92 130.05 18.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 74.44 110.879 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.99 151.69 23.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 74.23 111.125 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.0 m -92.13 132.36 36.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 63.31 111.154 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -122.4 150.91 41.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 72.52 110.935 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 82.3 m -137.67 142.64 41.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 63.15 110.879 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -52.48 -35.86 53.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 71.24 110.893 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.679 -0.772 . . . . 63.25 112.469 -179.923 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 76.4 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.864 0.364 . . . . 61.14 110.871 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.664 ' HD2' HD21 ' A' ' 5' ' ' LEU . 1.9 ptp180 -122.0 146.23 47.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 73.24 110.816 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -93.68 129.68 39.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 75.25 110.915 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.664 HD21 ' HD2' ' A' ' 3' ' ' ARG . 43.2 mt -112.08 110.2 20.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 72.14 110.997 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.0 m -99.28 129.75 45.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 74.53 110.886 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -155.0 131.55 10.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 73.13 110.893 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt 65.04 58.27 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 70.33 110.908 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 50.01 34.26 7.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 70.13 110.92 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -135.59 160.19 39.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 72.1 110.865 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 50.7 m -144.99 130.11 18.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 74.44 110.862 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.92 151.7 23.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 74.23 111.116 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.9 m -92.29 132.31 36.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.462 . . . . 63.31 111.123 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -122.89 151.93 41.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 72.52 110.929 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 85.6 m -137.61 146.83 44.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 63.15 110.878 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -51.97 -36.02 48.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 71.24 110.912 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.795 -0.717 . . . . 63.25 112.446 -179.954 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 77.1 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.87 0.367 . . . . 61.14 110.837 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.3 ptt-85 -122.39 146.13 47.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 73.24 110.86 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -92.97 129.99 38.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.209 -0.45 . . . . 75.25 110.818 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 57.0 mt -112.28 110.2 20.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 72.14 110.918 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.4 m -99.22 129.76 45.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 74.53 110.933 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -155.12 131.58 10.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 73.13 110.891 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt 65.01 58.25 0.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.068 -0.515 . . . . 70.33 110.935 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 50.11 34.26 8.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 70.13 110.901 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -135.56 160.16 39.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 72.1 110.9 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 52.7 m -144.98 129.73 18.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 74.44 110.889 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.92 151.68 23.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 74.23 111.151 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.2 m -92.04 132.15 36.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 63.31 111.145 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -122.25 150.66 41.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 72.52 110.928 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.0 m -136.84 145.03 43.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 63.15 110.855 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -52.45 -35.94 53.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 71.24 110.814 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.741 . . . . 63.25 112.454 -179.955 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 74.5 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.852 0.358 . . . . 61.14 110.871 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -122.13 146.17 47.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 73.24 110.92 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -93.53 129.97 39.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.094 -0.503 . . . . 75.25 110.927 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.5 mt -112.2 110.11 20.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 72.14 110.989 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.8 m -99.46 129.49 45.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 74.53 110.917 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -154.95 131.5 10.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.162 -0.472 . . . . 73.13 110.947 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt 65.12 58.23 0.9 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 70.33 110.891 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 50.22 34.25 8.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 70.13 110.942 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.0 mtp85 -135.21 160.33 38.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 72.1 110.832 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 58.8 m -145.63 128.23 16.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 74.44 110.861 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.6 m -137.76 151.58 25.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 74.23 111.125 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.8 m -92.35 132.57 36.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 63.31 111.076 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -122.39 150.36 42.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 72.52 110.884 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 86.0 m -137.04 144.7 43.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 63.15 110.852 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.1 ptt180 -53.29 -36.14 60.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 71.24 110.929 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.739 . . . . 63.25 112.495 -179.953 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 73.5 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.832 0.348 . . . . 61.14 110.856 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 24.1 ptt180 -121.99 146.17 47.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 73.24 110.87 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -93.67 129.78 39.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 75.25 110.889 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.9 mt -112.14 110.25 20.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 72.14 110.891 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 77.1 m -99.4 129.89 45.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 74.53 110.892 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -154.95 131.25 10.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 73.13 110.884 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.8 mtpt 65.12 58.3 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 70.33 110.913 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 50.19 34.18 8.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 70.13 110.928 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -135.41 160.27 38.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 72.1 110.861 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 52.8 m -145.05 130.33 18.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 74.44 110.865 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -139.29 151.69 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 74.23 111.164 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.0 m -92.21 132.27 36.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 63.31 111.086 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -122.4 150.43 42.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 72.52 110.913 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 75.5 m -137.78 142.16 40.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 63.15 110.901 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -52.83 -35.84 57.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 71.24 110.821 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 63.25 112.414 -179.902 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 80.7 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.811 0.338 . . . . 61.14 110.901 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.3 ptt180 -122.4 146.77 47.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 73.24 110.814 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -93.63 129.52 39.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 75.25 110.911 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.2 mt -112.14 110.24 20.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 72.14 110.907 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.7 m -99.31 129.71 45.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 74.53 110.876 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -154.98 131.64 10.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 73.13 110.907 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt 65.06 58.14 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.503 . . . . 70.33 110.899 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 50.11 34.24 8.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 70.13 110.951 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -135.34 160.37 38.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 72.1 110.881 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 56.3 m -145.25 129.5 17.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 74.44 110.901 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.5 151.71 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 74.23 111.11 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.9 m -92.61 132.39 36.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 63.31 111.198 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -123.62 152.59 41.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 72.52 110.951 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 71.3 m -135.15 151.28 50.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 63.15 110.879 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -35.82 47.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 71.24 110.821 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.754 -0.736 . . . . 63.25 112.447 -179.925 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 77.9 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.806 0.336 . . . . 61.14 110.851 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -122.27 146.95 46.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 73.24 110.844 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -93.88 129.49 40.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 75.25 110.858 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.6 mt -112.09 110.18 20.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 72.14 110.947 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.5 m -99.36 129.83 45.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 74.53 110.973 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -155.04 131.3 10.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 73.13 110.898 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt 65.2 58.17 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 70.33 110.919 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 50.23 34.14 8.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 70.13 110.913 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 -135.13 160.24 38.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 72.1 110.829 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 57.4 m -145.48 129.23 17.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 74.44 110.871 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.31 151.64 24.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 74.23 111.133 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.6 m -92.69 132.06 37.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 63.31 111.107 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -122.88 151.01 42.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 72.52 110.907 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 70.9 m -134.83 149.62 50.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 63.15 110.879 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -53.0 -36.14 60.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 71.24 110.835 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 C-N-CA 120.799 -0.715 . . . . 63.25 112.477 -179.987 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 76.0 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.839 0.352 . . . . 61.14 110.905 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.577 ' HD2' HD21 ' A' ' 5' ' ' LEU . 7.2 ptt-85 -122.11 146.01 47.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 73.24 110.873 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -93.45 129.91 39.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 75.25 110.892 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.577 HD21 ' HD2' ' A' ' 3' ' ' ARG . 47.3 mt -112.3 110.26 20.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 72.14 110.94 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 79.1 m -99.37 129.85 45.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 74.53 110.884 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -155.02 131.28 10.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 73.13 110.95 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.6 mttt 65.04 58.35 0.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 70.33 110.905 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 50.24 34.09 8.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 70.13 110.876 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 -135.02 160.28 38.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 72.1 110.874 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 56.4 m -145.36 129.08 17.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.452 . . . . 74.44 110.885 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.3 151.7 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 74.23 111.113 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.0 m -92.16 132.28 36.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 63.31 111.129 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -122.5 149.31 44.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 72.52 110.92 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 85.3 m -136.08 144.1 44.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 63.15 110.935 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.2 ptt85 -52.76 -35.76 56.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 71.24 110.889 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 63.25 112.507 -179.919 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 86.0 m . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.889 0.376 . . . . 61.14 110.84 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 21.9 ptt180 -122.07 145.83 47.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 73.24 110.908 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -93.12 129.82 38.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 75.25 110.873 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.2 mt -112.24 110.13 20.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 72.14 110.998 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.1 m -99.19 129.88 45.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 74.53 110.898 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -155.09 131.42 10.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.19 -0.459 . . . . 73.13 110.95 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.5 mttt 65.03 58.25 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 70.33 110.923 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 50.18 34.12 8.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.424 . . . . 70.13 110.933 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -135.15 160.36 38.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 72.1 110.851 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 54.8 m -145.44 129.16 17.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 74.44 110.871 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.15 151.64 25.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 74.23 111.16 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.6 m -92.06 132.28 36.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 63.31 111.154 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -123.3 152.91 40.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 72.52 110.911 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 72.7 m -136.82 150.66 48.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.496 . . . . 63.15 110.846 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.8 ptt85 -51.98 -36.02 48.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.491 . . . . 71.24 110.931 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.634 -0.793 . . . . 63.25 112.519 -179.965 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 76.5 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.799 0.333 . . . . 61.14 110.921 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -122.39 146.49 47.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 73.24 110.904 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -93.34 129.94 39.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 75.25 110.898 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.1 mt -112.24 110.22 20.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 72.14 110.947 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.8 m -99.42 129.68 45.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 74.53 110.874 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -155.04 131.46 10.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 73.13 110.916 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.4 mttt 65.07 58.3 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 70.33 110.866 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 50.28 34.1 8.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 70.13 110.946 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 mtp85 -135.1 160.27 38.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 72.1 110.841 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 59.4 m -145.69 128.7 16.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 74.44 110.861 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.6 m -138.32 151.54 24.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 74.23 111.152 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.9 m -92.06 132.52 36.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 63.31 111.2 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -122.24 150.98 41.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 72.52 110.894 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.6 m -137.19 145.34 43.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.485 . . . . 63.15 110.863 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -53.24 -35.97 60.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.499 . . . . 71.24 110.868 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.239 0 C-N-CA 120.691 -0.766 . . . . 63.25 112.427 -179.935 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 84.0 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.798 0.332 . . . . 61.14 110.871 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -122.13 146.16 47.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 73.24 110.872 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -93.26 129.7 39.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 75.25 110.933 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.9 mt -112.19 110.24 20.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 72.14 110.929 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 79.4 m -99.3 129.85 45.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 74.53 110.917 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -154.99 131.52 10.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 73.13 110.907 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.0 mttt 64.96 58.31 0.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 70.33 110.864 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 50.29 34.01 8.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 70.13 110.868 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -135.1 160.25 38.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.286 -0.416 . . . . 72.1 110.848 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 56.5 m -145.28 129.06 17.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 74.44 110.885 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.18 151.74 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 74.23 111.171 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.3 m -92.32 132.28 36.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.471 . . . . 63.31 111.14 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -123.35 152.66 41.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 72.52 111.012 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 71.9 m -136.22 151.02 49.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.087 -0.506 . . . . 63.15 110.879 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -52.12 -35.76 49.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 71.24 110.858 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 C-N-CA 120.722 -0.752 . . . . 63.25 112.434 -179.958 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 82.4 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.766 0.317 . . . . 61.14 110.864 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 27.1 ptt180 -123.4 145.49 48.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 73.24 110.929 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -90.04 129.84 36.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 75.25 110.862 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 79.0 mt -112.18 110.15 20.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 72.14 110.978 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.2 m -99.32 129.3 45.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 74.53 110.9 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -154.96 132.32 11.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 73.13 110.885 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.2 mttt 64.86 57.89 0.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 70.33 110.921 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 50.36 34.23 8.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 70.13 110.912 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -135.58 160.29 38.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 72.1 110.848 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 58.2 m -144.88 128.14 16.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.95 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.47 151.73 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 74.23 111.143 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.8 m -91.23 131.86 36.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 63.31 111.139 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -121.64 152.53 39.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.261 -0.427 . . . . 72.52 110.954 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 73.2 m -136.47 149.16 48.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 63.15 110.915 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -52.81 -35.91 57.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 71.24 110.772 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.708 -0.758 . . . . 63.25 112.458 -179.896 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 74.3 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.876 0.37 . . . . 61.14 110.909 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -122.44 146.11 47.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 73.24 110.831 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -92.34 129.99 38.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 75.25 110.872 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.7 mt -112.25 110.19 20.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 72.14 110.921 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.8 m -99.44 129.65 45.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 74.53 110.836 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -155.08 131.17 10.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 73.13 110.911 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 65.32 58.33 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 70.33 110.878 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 50.3 34.01 8.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 70.13 110.893 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -134.91 160.27 38.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 72.1 110.896 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 59.4 m -145.81 128.88 16.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 74.44 110.897 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.6 m -138.79 151.57 23.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.093 -0.503 . . . . 74.23 111.098 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.9 m -91.68 132.19 36.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 63.31 111.144 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -122.59 152.67 40.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 72.52 110.972 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 77.7 m -135.73 150.49 49.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 63.15 110.877 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -52.05 -35.87 48.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 71.24 110.871 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.786 -0.721 . . . . 63.25 112.471 -179.932 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 74.8 m . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.779 0.323 . . . . 61.14 110.904 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -122.65 145.35 48.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 73.24 110.931 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -92.39 130.31 38.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 75.25 110.891 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.7 mt -112.59 110.17 20.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 72.14 110.938 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.5 m -99.47 129.51 45.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 74.53 110.857 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -155.05 131.51 10.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.144 -0.48 . . . . 73.13 110.901 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.2 mtmt 65.08 58.38 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.492 . . . . 70.33 110.929 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 50.23 34.23 8.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 70.13 110.899 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -134.94 160.35 38.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 72.1 110.894 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 63.3 m -146.05 128.03 15.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 74.44 110.935 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.5 m -138.23 150.92 24.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 74.23 111.14 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.2 m -91.38 132.39 36.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 63.31 111.119 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -121.93 151.11 41.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 72.52 110.879 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 84.1 m -137.32 143.46 42.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 63.15 110.903 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -52.15 -35.83 49.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 71.24 110.865 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.71 -0.757 . . . . 63.25 112.53 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.708 0 CA-C-O 125.428 2.537 . . . . 73.45 106.407 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 73.7 m -109.04 134.48 51.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 111.588 -2.551 . . . . 61.14 110.894 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -122.08 146.19 47.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 73.24 110.898 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -93.56 129.8 39.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 75.25 110.858 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.2 mt -112.05 110.22 20.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 72.14 110.936 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.7 m -99.43 129.75 45.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 74.53 110.915 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -155.01 131.63 10.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 73.13 110.913 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt 65.05 58.19 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 70.33 110.898 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 50.16 34.16 8.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 70.13 110.947 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -135.44 160.27 38.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 72.1 110.84 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 54.8 m -145.1 129.86 18.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.901 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -139.02 151.67 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 74.23 111.154 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.7 m -92.18 132.36 36.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 63.31 111.144 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -122.19 151.97 40.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 72.52 110.931 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 79.6 m -139.03 141.1 38.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 63.15 110.882 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -52.6 -36.15 55.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 71.24 110.916 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.49 -34.92 87.57 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 63.25 112.509 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 -63.04 -48.88 76.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.851 0.358 . . . . 71.44 110.896 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 22.22 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.665 0 CA-C-O 125.409 2.528 . . . . 73.45 106.41 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 75.9 m -109.18 134.47 51.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 111.63 -2.532 . . . . 61.14 110.82 -179.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.469 ' NH1' HD11 ' A' ' 5' ' ' LEU . 15.9 ptt85 -122.02 145.81 47.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 73.24 110.842 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -93.49 129.65 39.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 75.25 110.948 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.469 HD11 ' NH1' ' A' ' 3' ' ' ARG . 41.4 mt -112.0 110.27 20.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 72.14 110.941 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.8 m -99.36 129.67 45.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 74.53 110.849 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -154.98 131.72 10.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 73.13 110.921 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.1 mtmm 65.0 58.26 0.92 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 70.33 110.881 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 50.13 34.1 7.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 70.13 110.921 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -135.55 160.28 38.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 72.1 110.885 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 49.2 m -145.12 129.94 18.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 74.44 110.891 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.74 151.62 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 74.23 111.103 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.7 m -92.03 132.21 36.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 63.31 111.178 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -122.59 149.11 44.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 72.52 110.885 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 85.5 m -135.99 145.42 46.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.047 -0.524 . . . . 63.15 110.894 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.5 ptt85 -52.96 -36.37 59.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 71.24 110.902 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -86.93 57.82 4.62 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.69 -0.767 . . . . 63.25 112.529 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.1 ttp85 -79.84 90.23 5.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.758 0.313 . . . . 71.44 110.839 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 22.22 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.699 0 CA-C-O 125.396 2.522 . . . . 73.45 106.442 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 73.0 m -109.02 134.66 51.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 111.631 -2.531 . . . . 61.14 110.921 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -121.93 145.96 47.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 73.24 110.864 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -93.69 129.74 39.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 75.25 110.866 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.7 mt -112.02 110.11 20.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 72.14 110.979 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.3 m -99.36 129.58 45.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 74.53 110.884 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -155.01 131.87 10.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.208 -0.451 . . . . 73.13 110.974 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.9 mttt 64.85 58.11 0.98 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.158 -0.474 . . . . 70.33 110.931 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 50.3 34.19 8.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 70.13 110.934 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 -135.49 160.3 38.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.201 -0.454 . . . . 72.1 110.871 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 56.6 m -145.27 129.09 17.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 74.44 110.912 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.15 151.72 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 74.23 111.124 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.3 m -92.33 132.38 36.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 63.31 111.131 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -122.28 150.68 42.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 72.52 110.907 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 75.1 m -138.05 140.71 40.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.058 -0.519 . . . . 63.15 110.937 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -53.16 -35.99 60.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 71.24 110.846 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.86 -33.4 43.12 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.727 -0.749 . . . . 63.25 112.408 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -71.1 83.18 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.333 . . . . 71.44 110.883 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 22.22 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.706 0 CA-C-O 125.422 2.534 . . . . 73.45 106.396 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 76.9 m -109.08 134.47 51.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 111.614 -2.539 . . . . 61.14 110.857 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -122.23 146.12 47.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 73.24 110.865 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -93.3 129.78 39.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 75.25 110.921 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.9 mt -112.18 110.25 20.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 72.14 110.865 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 79.5 m -99.4 129.81 45.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 74.53 110.831 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -155.0 131.41 10.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 73.13 110.964 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.8 mtmt 65.13 58.28 0.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 70.33 110.901 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 50.1 34.19 8.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 70.13 110.939 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -135.46 160.26 39.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 72.1 110.864 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 53.6 m -145.1 130.34 18.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 74.44 110.889 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -139.39 151.71 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 74.23 111.138 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.7 m -92.05 132.18 36.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 63.31 111.095 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -122.62 150.76 42.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 72.52 110.94 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 81.9 m -136.8 146.65 45.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 63.15 110.883 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -53.17 -35.71 60.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 71.24 110.918 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.17 -37.66 59.56 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.81 -0.71 . . . . 63.25 112.474 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.2 ttm-85 -80.54 82.48 6.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.83 0.348 . . . . 71.44 110.91 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 22.22 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.715 0 CA-C-O 125.422 2.534 . . . . 73.45 106.423 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 75.5 m -108.93 134.49 51.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 111.618 -2.537 . . . . 61.14 110.835 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.684 ' HD2' HD21 ' A' ' 5' ' ' LEU . 2.1 ptp180 -121.98 146.11 47.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 73.24 110.937 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -93.65 129.65 39.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.312 -0.404 . . . . 75.25 110.945 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.684 HD21 ' HD2' ' A' ' 3' ' ' ARG . 42.5 mt -112.09 110.18 20.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 72.14 110.932 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.5 m -99.25 129.79 45.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 74.53 110.909 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -155.02 131.57 10.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 73.13 110.951 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.6 mtmm 64.99 58.29 0.92 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 70.33 110.901 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 50.08 34.24 8.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 70.13 110.946 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -135.59 160.15 39.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 72.1 110.852 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 51.6 m -145.05 129.77 18.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.867 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.56 151.75 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 74.23 111.103 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.3 m -92.42 132.34 36.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 63.31 111.12 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -122.59 149.3 44.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 72.52 110.894 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 85.5 m -135.9 145.76 46.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.065 -0.516 . . . . 63.15 110.952 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -53.94 -35.95 62.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 71.24 110.871 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -82.05 57.82 4.95 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.69 -0.767 . . . . 63.25 112.51 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -114.64 174.86 5.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.789 0.328 . . . . 71.44 110.832 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 22.22 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.679 0 CA-C-O 125.347 2.499 . . . . 73.45 106.45 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 74.9 m -108.85 134.45 51.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 111.66 -2.518 . . . . 61.14 110.9 -179.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -121.95 146.31 47.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 73.24 110.845 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -93.81 129.77 40.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 75.25 110.86 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.7 mt -112.17 110.27 20.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 72.14 110.884 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.3 m -99.36 129.78 45.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 74.53 110.88 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -155.0 131.64 10.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.129 -0.487 . . . . 73.13 110.881 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt 65.02 58.21 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 70.33 110.929 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 50.1 34.19 8.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 70.13 110.918 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -135.42 160.14 39.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 72.1 110.905 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 52.7 m -144.99 130.01 18.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.905 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.89 151.65 23.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 74.23 111.122 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.4 m -92.33 132.28 36.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 63.31 111.213 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -122.44 149.5 43.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 72.52 110.923 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 84.9 m -136.6 144.11 43.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 63.15 110.889 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -52.97 -35.82 59.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 71.24 110.917 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -108.52 45.44 1.31 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.718 -0.753 . . . . 63.25 112.532 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -80.43 58.27 3.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.821 0.343 . . . . 71.44 110.911 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 22.22 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.714 0 CA-C-O 125.384 2.516 . . . . 73.45 106.415 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 74.0 m -108.83 134.49 51.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 111.678 -2.51 . . . . 61.14 110.912 -179.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -122.12 146.13 47.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 73.24 110.804 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -93.46 129.88 39.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.488 . . . . 75.25 110.809 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.7 mt -112.26 110.33 20.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 72.14 110.901 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.4 m -99.36 129.7 45.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 74.53 110.935 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -154.97 131.63 10.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 73.13 110.957 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 64.97 58.26 0.93 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 70.33 110.907 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 50.12 34.18 8.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 70.13 110.951 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -135.63 160.18 39.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 72.1 110.86 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 47.4 m -144.92 130.05 18.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 74.44 110.879 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.99 151.69 23.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 74.23 111.125 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.0 m -92.13 132.36 36.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 63.31 111.154 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -122.4 150.91 41.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 72.52 110.935 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 82.3 m -137.67 142.64 41.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 63.15 110.879 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -52.48 -35.86 53.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 71.24 110.893 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.43 58.58 4.41 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.679 -0.772 . . . . 63.25 112.469 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -140.92 141.94 34.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.737 0.303 . . . . 71.44 110.923 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 22.22 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.728 0 CA-C-O 125.412 2.529 . . . . 73.45 106.402 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 76.4 m -109.65 134.44 51.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 111.649 -2.523 . . . . 61.14 110.871 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.664 ' HD2' HD21 ' A' ' 5' ' ' LEU . 1.9 ptp180 -122.0 146.23 47.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 73.24 110.816 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -93.68 129.68 39.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 75.25 110.915 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.664 HD21 ' HD2' ' A' ' 3' ' ' ARG . 43.2 mt -112.08 110.2 20.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 72.14 110.997 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.0 m -99.28 129.75 45.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 74.53 110.886 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -155.0 131.55 10.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 73.13 110.893 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt 65.04 58.27 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 70.33 110.908 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 50.01 34.26 7.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 70.13 110.92 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -135.59 160.19 39.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 72.1 110.865 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 50.7 m -144.99 130.11 18.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 74.44 110.862 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.92 151.7 23.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 74.23 111.116 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.9 m -92.29 132.31 36.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.462 . . . . 63.31 111.123 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -122.89 151.93 41.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 72.52 110.929 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 85.6 m -137.61 146.83 44.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 63.15 110.878 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -51.97 -36.02 48.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 71.24 110.912 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.91 -33.46 50.15 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.795 -0.717 . . . . 63.25 112.446 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.4 tpt85 -59.99 -46.52 89.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.787 0.327 . . . . 71.44 110.861 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 22.22 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.656 0 CA-C-O 125.399 2.524 . . . . 73.45 106.375 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 77.1 m -109.0 134.32 51.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 111.597 -2.547 . . . . 61.14 110.837 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.3 ptt-85 -122.39 146.13 47.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 73.24 110.86 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -92.97 129.99 38.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.209 -0.45 . . . . 75.25 110.818 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 57.0 mt -112.28 110.2 20.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 72.14 110.918 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.4 m -99.22 129.76 45.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 74.53 110.933 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -155.12 131.58 10.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 73.13 110.891 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt 65.01 58.25 0.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.068 -0.515 . . . . 70.33 110.935 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 50.11 34.26 8.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 70.13 110.901 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -135.56 160.16 39.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 72.1 110.9 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 52.7 m -144.98 129.73 18.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 74.44 110.889 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.92 151.68 23.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 74.23 111.151 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.2 m -92.04 132.15 36.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 63.31 111.145 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -122.25 150.66 41.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 72.52 110.928 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.0 m -136.84 145.03 43.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 63.15 110.855 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -52.45 -35.94 53.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 71.24 110.814 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.14 47.36 3.12 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.741 . . . . 63.25 112.454 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -77.33 85.31 3.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.819 0.342 . . . . 71.44 110.847 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 22.22 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.723 0 CA-C-O 125.432 2.539 . . . . 73.45 106.466 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 74.5 m -108.96 134.5 51.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 111.642 -2.526 . . . . 61.14 110.871 -179.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -122.13 146.17 47.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 73.24 110.92 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -93.53 129.97 39.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.094 -0.503 . . . . 75.25 110.927 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.5 mt -112.2 110.11 20.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 72.14 110.989 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.8 m -99.46 129.49 45.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 74.53 110.917 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -154.95 131.5 10.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.162 -0.472 . . . . 73.13 110.947 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt 65.12 58.23 0.9 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 70.33 110.891 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 50.22 34.25 8.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 70.13 110.942 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.0 mtp85 -135.21 160.33 38.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 72.1 110.832 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 58.8 m -145.63 128.23 16.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 74.44 110.861 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.6 m -137.76 151.58 25.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 74.23 111.125 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.8 m -92.35 132.57 36.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 63.31 111.076 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -122.39 150.36 42.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 72.52 110.884 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 86.0 m -137.04 144.7 43.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 63.15 110.852 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.1 ptt180 -53.29 -36.14 60.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 71.24 110.929 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -91.38 55.91 3.15 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.739 . . . . 63.25 112.495 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -64.23 -55.88 18.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 71.44 110.883 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 22.22 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.714 0 CA-C-O 125.47 2.557 . . . . 73.45 106.422 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 73.5 m -108.99 134.71 51.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 111.585 -2.552 . . . . 61.14 110.856 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 24.1 ptt180 -121.99 146.17 47.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 73.24 110.87 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -93.67 129.78 39.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 75.25 110.889 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.9 mt -112.14 110.25 20.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 72.14 110.891 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 77.1 m -99.4 129.89 45.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 74.53 110.892 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -154.95 131.25 10.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 73.13 110.884 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.8 mtpt 65.12 58.3 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 70.33 110.913 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 50.19 34.18 8.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 70.13 110.928 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -135.41 160.27 38.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 72.1 110.861 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 52.8 m -145.05 130.33 18.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 74.44 110.865 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -139.29 151.69 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 74.23 111.164 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.0 m -92.21 132.27 36.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 63.31 111.086 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -122.4 150.43 42.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 72.52 110.913 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 75.5 m -137.78 142.16 40.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 63.15 110.901 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -52.83 -35.84 57.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 71.24 110.821 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.58 -40.35 54.99 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 63.25 112.414 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.12 -42.21 80.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.772 0.32 . . . . 71.44 110.809 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 22.22 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.699 0 CA-C-O 125.422 2.534 . . . . 73.45 106.372 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 80.7 m -108.88 133.74 52.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 111.603 -2.544 . . . . 61.14 110.901 -179.263 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.3 ptt180 -122.4 146.77 47.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 73.24 110.814 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -93.63 129.52 39.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 75.25 110.911 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.2 mt -112.14 110.24 20.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 72.14 110.907 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.7 m -99.31 129.71 45.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 74.53 110.876 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -154.98 131.64 10.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 73.13 110.907 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt 65.06 58.14 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.503 . . . . 70.33 110.899 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 50.11 34.24 8.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 70.13 110.951 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -135.34 160.37 38.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 72.1 110.881 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 56.3 m -145.25 129.5 17.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 74.44 110.901 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.5 151.71 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 74.23 111.11 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.9 m -92.61 132.39 36.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 63.31 111.198 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -123.62 152.59 41.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 72.52 110.951 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 71.3 m -135.15 151.28 50.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 63.15 110.879 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -35.82 47.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 71.24 110.821 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -84.56 55.25 4.99 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.754 -0.736 . . . . 63.25 112.447 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -97.61 102.07 13.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.761 0.315 . . . . 71.44 110.903 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.419 . . . . 22.22 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.68 0 CA-C-O 125.427 2.537 . . . . 73.45 106.456 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 77.9 m -109.04 133.77 52.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 111.623 -2.535 . . . . 61.14 110.851 -179.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -122.27 146.95 46.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 73.24 110.844 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -93.88 129.49 40.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 75.25 110.858 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.6 mt -112.09 110.18 20.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 72.14 110.947 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.5 m -99.36 129.83 45.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 74.53 110.973 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -155.04 131.3 10.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 73.13 110.898 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt 65.2 58.17 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 70.33 110.919 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 50.23 34.14 8.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 70.13 110.913 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 -135.13 160.24 38.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 72.1 110.829 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 57.4 m -145.48 129.23 17.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 74.44 110.871 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.31 151.64 24.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 74.23 111.133 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.6 m -92.69 132.06 37.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 63.31 111.107 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -122.88 151.01 42.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 72.52 110.907 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 70.9 m -134.83 149.62 50.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 63.15 110.879 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -53.0 -36.14 60.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 71.24 110.835 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.38 -62.09 4.11 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.799 -0.715 . . . . 63.25 112.477 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 51.97 44.35 29.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.867 0.365 . . . . 71.44 110.877 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 22.22 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.723 0 CA-C-O 125.463 2.554 . . . . 73.45 106.425 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 76.0 m -108.94 134.44 51.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 111.569 -2.56 . . . . 61.14 110.905 -179.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.577 ' HD2' HD21 ' A' ' 5' ' ' LEU . 7.2 ptt-85 -122.11 146.01 47.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 73.24 110.873 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -93.45 129.91 39.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 75.25 110.892 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.577 HD21 ' HD2' ' A' ' 3' ' ' ARG . 47.3 mt -112.3 110.26 20.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 72.14 110.94 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 79.1 m -99.37 129.85 45.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 74.53 110.884 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -155.02 131.28 10.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 73.13 110.95 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.6 mttt 65.04 58.35 0.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 70.33 110.905 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 50.24 34.09 8.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 70.13 110.876 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 -135.02 160.28 38.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 72.1 110.874 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 56.4 m -145.36 129.08 17.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.452 . . . . 74.44 110.885 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.3 151.7 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 74.23 111.113 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.0 m -92.16 132.28 36.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 63.31 111.129 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -122.5 149.31 44.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 72.52 110.92 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 85.3 m -136.08 144.1 44.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 63.15 110.935 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.2 ptt85 -52.76 -35.76 56.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 71.24 110.889 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -106.07 44.98 1.37 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 63.25 112.507 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -52.37 -52.69 52.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.815 0.341 . . . . 71.44 110.853 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 22.22 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.699 0 CA-C-O 125.41 2.529 . . . . 73.45 106.354 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 86.0 m -109.36 133.84 52.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 111.612 -2.54 . . . . 61.14 110.84 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 21.9 ptt180 -122.07 145.83 47.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 73.24 110.908 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -93.12 129.82 38.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 75.25 110.873 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.2 mt -112.24 110.13 20.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 72.14 110.998 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.1 m -99.19 129.88 45.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 74.53 110.898 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -155.09 131.42 10.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.19 -0.459 . . . . 73.13 110.95 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.5 mttt 65.03 58.25 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 70.33 110.923 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 50.18 34.12 8.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.424 . . . . 70.13 110.933 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -135.15 160.36 38.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 72.1 110.851 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 54.8 m -145.44 129.16 17.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 74.44 110.871 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.15 151.64 25.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 74.23 111.16 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.6 m -92.06 132.28 36.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 63.31 111.154 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -123.3 152.91 40.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 72.52 110.911 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 72.7 m -136.82 150.66 48.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.496 . . . . 63.15 110.846 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.8 ptt85 -51.98 -36.02 48.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.491 . . . . 71.24 110.931 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.64 -60.99 7.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.634 -0.793 . . . . 63.25 112.519 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -73.35 -37.32 66.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.756 0.312 . . . . 71.44 110.818 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 22.22 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.638 0 CA-C-O 125.395 2.522 . . . . 73.45 106.365 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 76.5 m -108.85 134.29 51.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 111.622 -2.535 . . . . 61.14 110.921 -179.256 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -122.39 146.49 47.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 73.24 110.904 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -93.34 129.94 39.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 75.25 110.898 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.1 mt -112.24 110.22 20.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 72.14 110.947 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.8 m -99.42 129.68 45.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 74.53 110.874 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -155.04 131.46 10.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 73.13 110.916 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.4 mttt 65.07 58.3 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 70.33 110.866 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 50.28 34.1 8.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 70.13 110.946 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 mtp85 -135.1 160.27 38.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 72.1 110.841 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 59.4 m -145.69 128.7 16.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 74.44 110.861 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.6 m -138.32 151.54 24.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 74.23 111.152 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.9 m -92.06 132.52 36.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 63.31 111.2 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -122.24 150.98 41.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 72.52 110.894 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.6 m -137.19 145.34 43.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.485 . . . . 63.15 110.863 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -53.24 -35.97 60.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.499 . . . . 71.24 110.868 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.63 -33.59 59.51 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.691 -0.766 . . . . 63.25 112.427 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.4 mtt-85 -74.36 85.47 1.97 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.791 0.329 . . . . 71.44 110.85 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 22.22 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.704 0 CA-C-O 125.451 2.548 . . . . 73.45 106.438 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 84.0 m -109.29 133.69 52.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 111.595 -2.548 . . . . 61.14 110.871 -179.18 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -122.13 146.16 47.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 73.24 110.872 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -93.26 129.7 39.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 75.25 110.933 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.9 mt -112.19 110.24 20.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 72.14 110.929 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 79.4 m -99.3 129.85 45.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 74.53 110.917 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -154.99 131.52 10.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 73.13 110.907 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.0 mttt 64.96 58.31 0.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 70.33 110.864 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 50.29 34.01 8.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 70.13 110.868 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -135.1 160.25 38.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.286 -0.416 . . . . 72.1 110.848 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 56.5 m -145.28 129.06 17.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 74.44 110.885 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.18 151.74 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 74.23 111.171 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.3 m -92.32 132.28 36.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.471 . . . . 63.31 111.14 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -123.35 152.66 41.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 72.52 111.012 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 71.9 m -136.22 151.02 49.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.087 -0.506 . . . . 63.15 110.879 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -52.12 -35.76 49.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 71.24 110.858 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.24 -33.33 38.3 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.722 -0.752 . . . . 63.25 112.434 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -52.22 -55.37 21.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.75 0.309 . . . . 71.44 110.828 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 22.22 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.686 0 CA-C-O 125.43 2.538 . . . . 73.45 106.36 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 82.4 m -109.29 133.79 52.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 111.573 -2.558 . . . . 61.14 110.864 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 27.1 ptt180 -123.4 145.49 48.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 73.24 110.929 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -90.04 129.84 36.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 75.25 110.862 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 79.0 mt -112.18 110.15 20.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 72.14 110.978 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.2 m -99.32 129.3 45.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 74.53 110.9 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -154.96 132.32 11.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 73.13 110.885 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.2 mttt 64.86 57.89 0.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 70.33 110.921 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 50.36 34.23 8.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 70.13 110.912 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -135.58 160.29 38.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 72.1 110.848 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 58.2 m -144.88 128.14 16.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.95 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.47 151.73 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 74.23 111.143 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.8 m -91.23 131.86 36.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 63.31 111.139 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -121.64 152.53 39.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.261 -0.427 . . . . 72.52 110.954 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 73.2 m -136.47 149.16 48.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 63.15 110.915 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -52.81 -35.91 57.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 71.24 110.772 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -91.18 61.45 2.94 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.708 -0.758 . . . . 63.25 112.458 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 78.7 mtm-85 -63.12 -65.57 0.67 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.773 0.321 . . . . 71.44 110.824 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 22.22 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.726 0 CA-C-O 125.413 2.53 . . . . 73.45 106.444 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 74.3 m -108.96 133.92 52.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 111.685 -2.507 . . . . 61.14 110.909 -179.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -122.44 146.11 47.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 73.24 110.831 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -92.34 129.99 38.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 75.25 110.872 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.7 mt -112.25 110.19 20.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 72.14 110.921 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.8 m -99.44 129.65 45.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 74.53 110.836 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -155.08 131.17 10.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 73.13 110.911 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 65.32 58.33 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 70.33 110.878 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 50.3 34.01 8.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 70.13 110.893 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -134.91 160.27 38.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 72.1 110.896 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 59.4 m -145.81 128.88 16.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 74.44 110.897 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.6 m -138.79 151.57 23.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.093 -0.503 . . . . 74.23 111.098 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.9 m -91.68 132.19 36.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 63.31 111.144 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -122.59 152.67 40.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 72.52 110.972 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 77.7 m -135.73 150.49 49.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 63.15 110.877 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -52.05 -35.87 48.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 71.24 110.871 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -93.0 37.81 3.31 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.786 -0.721 . . . . 63.25 112.471 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -56.83 -54.05 50.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.776 0.322 . . . . 71.44 110.834 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 22.22 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.666 0 CA-C-O 125.415 2.531 . . . . 73.45 106.415 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 74.8 m -109.04 134.11 52.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 111.603 -2.544 . . . . 61.14 110.904 -179.191 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -122.65 145.35 48.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 73.24 110.931 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -92.39 130.31 38.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 75.25 110.891 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.7 mt -112.59 110.17 20.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 72.14 110.938 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.5 m -99.47 129.51 45.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 74.53 110.857 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -155.05 131.51 10.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.144 -0.48 . . . . 73.13 110.901 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.2 mtmt 65.08 58.38 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.492 . . . . 70.33 110.929 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 50.23 34.23 8.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 70.13 110.899 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -134.94 160.35 38.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 72.1 110.894 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 63.3 m -146.05 128.03 15.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 74.44 110.935 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.5 m -138.23 150.92 24.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 74.23 111.14 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.2 m -91.38 132.39 36.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 63.31 111.119 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -121.93 151.11 41.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 72.52 110.879 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 84.1 m -137.32 143.46 42.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 63.15 110.903 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -52.15 -35.83 49.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 71.24 110.865 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.79 -33.52 49.51 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.71 -0.757 . . . . 63.25 112.53 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 46.6 mtt180 -76.87 65.89 2.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.749 0.309 . . . . 71.44 110.913 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 22.22 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 73.7 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.805 0.336 . . . . 61.14 110.894 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -122.08 146.19 47.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 73.24 110.898 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -93.56 129.8 39.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 75.25 110.858 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.2 mt -112.05 110.22 20.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 72.14 110.936 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.7 m -99.43 129.75 45.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 74.53 110.915 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -155.01 131.63 10.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 73.13 110.913 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt 65.05 58.19 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 70.33 110.898 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 50.16 34.16 8.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 70.13 110.947 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -135.44 160.27 38.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 72.1 110.84 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 54.8 m -145.1 129.86 18.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.901 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -139.02 151.67 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 74.23 111.154 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.7 m -92.18 132.36 36.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 63.31 111.144 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -122.19 151.97 40.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 72.52 110.931 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 79.6 m -139.03 141.1 38.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 63.15 110.882 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -52.6 -36.15 55.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 71.24 110.916 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 63.25 112.509 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 75.9 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.865 0.364 . . . . 61.14 110.82 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.469 ' NH1' HD11 ' A' ' 5' ' ' LEU . 15.9 ptt85 -122.02 145.81 47.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 73.24 110.842 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -93.49 129.65 39.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 75.25 110.948 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.469 HD11 ' NH1' ' A' ' 3' ' ' ARG . 41.4 mt -112.0 110.27 20.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 72.14 110.941 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.8 m -99.36 129.67 45.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 74.53 110.849 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -154.98 131.72 10.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 73.13 110.921 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.1 mtmm 65.0 58.26 0.92 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 70.33 110.881 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 50.13 34.1 7.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 70.13 110.921 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -135.55 160.28 38.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 72.1 110.885 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 49.2 m -145.12 129.94 18.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 74.44 110.891 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.74 151.62 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 74.23 111.103 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.7 m -92.03 132.21 36.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 63.31 111.178 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -122.59 149.11 44.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 72.52 110.885 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 85.5 m -135.99 145.42 46.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.047 -0.524 . . . . 63.15 110.894 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.5 ptt85 -52.96 -36.37 59.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 71.24 110.902 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.69 -0.767 . . . . 63.25 112.529 -179.957 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 73.0 m . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.835 0.35 . . . . 61.14 110.921 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -121.93 145.96 47.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 73.24 110.864 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -93.69 129.74 39.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 75.25 110.866 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.7 mt -112.02 110.11 20.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 72.14 110.979 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.3 m -99.36 129.58 45.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 74.53 110.884 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -155.01 131.87 10.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.208 -0.451 . . . . 73.13 110.974 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.9 mttt 64.85 58.11 0.98 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.158 -0.474 . . . . 70.33 110.931 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 50.3 34.19 8.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 70.13 110.934 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 -135.49 160.3 38.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.201 -0.454 . . . . 72.1 110.871 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 56.6 m -145.27 129.09 17.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 74.44 110.912 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.15 151.72 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 74.23 111.124 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.3 m -92.33 132.38 36.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 63.31 111.131 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -122.28 150.68 42.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 72.52 110.907 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 75.1 m -138.05 140.71 40.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.058 -0.519 . . . . 63.15 110.937 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -53.16 -35.99 60.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 71.24 110.846 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 C-N-CA 120.727 -0.749 . . . . 63.25 112.408 -179.885 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 76.9 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.873 0.368 . . . . 61.14 110.857 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -122.23 146.12 47.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 73.24 110.865 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -93.3 129.78 39.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 75.25 110.921 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.9 mt -112.18 110.25 20.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 72.14 110.865 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 79.5 m -99.4 129.81 45.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 74.53 110.831 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -155.0 131.41 10.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 73.13 110.964 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.8 mtmt 65.13 58.28 0.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 70.33 110.901 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 50.1 34.19 8.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 70.13 110.939 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -135.46 160.26 39.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 72.1 110.864 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 53.6 m -145.1 130.34 18.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 74.44 110.889 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -139.39 151.71 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 74.23 111.138 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.7 m -92.05 132.18 36.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 63.31 111.095 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -122.62 150.76 42.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 72.52 110.94 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 81.9 m -136.8 146.65 45.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 63.15 110.883 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -53.17 -35.71 60.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 71.24 110.918 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.81 -0.71 . . . . 63.25 112.474 179.933 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 75.5 m . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.826 0.346 . . . . 61.14 110.835 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.684 ' HD2' HD21 ' A' ' 5' ' ' LEU . 2.1 ptp180 -121.98 146.11 47.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 73.24 110.937 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -93.65 129.65 39.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.312 -0.404 . . . . 75.25 110.945 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.684 HD21 ' HD2' ' A' ' 3' ' ' ARG . 42.5 mt -112.09 110.18 20.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 72.14 110.932 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.5 m -99.25 129.79 45.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 74.53 110.909 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -155.02 131.57 10.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 73.13 110.951 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.6 mtmm 64.99 58.29 0.92 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 70.33 110.901 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 50.08 34.24 8.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 70.13 110.946 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -135.59 160.15 39.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 72.1 110.852 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 51.6 m -145.05 129.77 18.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.867 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.56 151.75 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 74.23 111.103 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.3 m -92.42 132.34 36.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 63.31 111.12 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -122.59 149.3 44.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 72.52 110.894 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 85.5 m -135.9 145.76 46.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.065 -0.516 . . . . 63.15 110.952 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -53.94 -35.95 62.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 71.24 110.871 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.69 -0.767 . . . . 63.25 112.51 -179.971 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 74.9 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.784 0.326 . . . . 61.14 110.9 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -121.95 146.31 47.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 73.24 110.845 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -93.81 129.77 40.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 75.25 110.86 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.7 mt -112.17 110.27 20.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 72.14 110.884 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.3 m -99.36 129.78 45.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 74.53 110.88 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -155.0 131.64 10.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.129 -0.487 . . . . 73.13 110.881 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt 65.02 58.21 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 70.33 110.929 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 50.1 34.19 8.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 70.13 110.918 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -135.42 160.14 39.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 72.1 110.905 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 52.7 m -144.99 130.01 18.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.905 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.89 151.65 23.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 74.23 111.122 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.4 m -92.33 132.28 36.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 63.31 111.213 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -122.44 149.5 43.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 72.52 110.923 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 84.9 m -136.6 144.11 43.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 63.15 110.889 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -52.97 -35.82 59.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 71.24 110.917 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.392 0 C-N-CA 120.718 -0.753 . . . . 63.25 112.532 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 74.0 m . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.819 0.342 . . . . 61.14 110.912 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -122.12 146.13 47.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 73.24 110.804 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -93.46 129.88 39.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.488 . . . . 75.25 110.809 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.7 mt -112.26 110.33 20.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 72.14 110.901 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.4 m -99.36 129.7 45.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 74.53 110.935 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -154.97 131.63 10.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 73.13 110.957 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 64.97 58.26 0.93 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 70.33 110.907 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 50.12 34.18 8.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 70.13 110.951 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -135.63 160.18 39.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 72.1 110.86 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 47.4 m -144.92 130.05 18.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 74.44 110.879 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.99 151.69 23.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 74.23 111.125 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.0 m -92.13 132.36 36.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 63.31 111.154 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -122.4 150.91 41.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 72.52 110.935 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 82.3 m -137.67 142.64 41.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 63.15 110.879 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -52.48 -35.86 53.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 71.24 110.893 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.679 -0.772 . . . . 63.25 112.469 -179.923 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 76.4 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.864 0.364 . . . . 61.14 110.871 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.664 ' HD2' HD21 ' A' ' 5' ' ' LEU . 1.9 ptp180 -122.0 146.23 47.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 73.24 110.816 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -93.68 129.68 39.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 75.25 110.915 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.664 HD21 ' HD2' ' A' ' 3' ' ' ARG . 43.2 mt -112.08 110.2 20.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 72.14 110.997 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.0 m -99.28 129.75 45.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 74.53 110.886 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -155.0 131.55 10.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 73.13 110.893 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt 65.04 58.27 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 70.33 110.908 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 50.01 34.26 7.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 70.13 110.92 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -135.59 160.19 39.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 72.1 110.865 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 50.7 m -144.99 130.11 18.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 74.44 110.862 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.92 151.7 23.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 74.23 111.116 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.9 m -92.29 132.31 36.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.462 . . . . 63.31 111.123 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -122.89 151.93 41.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 72.52 110.929 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 85.6 m -137.61 146.83 44.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 63.15 110.878 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -51.97 -36.02 48.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 71.24 110.912 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.795 -0.717 . . . . 63.25 112.446 -179.954 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 77.1 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.87 0.367 . . . . 61.14 110.837 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.3 ptt-85 -122.39 146.13 47.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 73.24 110.86 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -92.97 129.99 38.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.209 -0.45 . . . . 75.25 110.818 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 57.0 mt -112.28 110.2 20.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 72.14 110.918 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.4 m -99.22 129.76 45.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 74.53 110.933 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -155.12 131.58 10.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 73.13 110.891 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt 65.01 58.25 0.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.068 -0.515 . . . . 70.33 110.935 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 50.11 34.26 8.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 70.13 110.901 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -135.56 160.16 39.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 72.1 110.9 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 52.7 m -144.98 129.73 18.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 74.44 110.889 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.92 151.68 23.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 74.23 111.151 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.2 m -92.04 132.15 36.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 63.31 111.145 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -122.25 150.66 41.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 72.52 110.928 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.0 m -136.84 145.03 43.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 63.15 110.855 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -52.45 -35.94 53.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 71.24 110.814 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.741 . . . . 63.25 112.454 -179.955 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 74.5 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.852 0.358 . . . . 61.14 110.871 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -122.13 146.17 47.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 73.24 110.92 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -93.53 129.97 39.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.094 -0.503 . . . . 75.25 110.927 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.5 mt -112.2 110.11 20.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 72.14 110.989 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.8 m -99.46 129.49 45.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 74.53 110.917 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -154.95 131.5 10.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.162 -0.472 . . . . 73.13 110.947 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt 65.12 58.23 0.9 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 70.33 110.891 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 50.22 34.25 8.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 70.13 110.942 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.0 mtp85 -135.21 160.33 38.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 72.1 110.832 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 58.8 m -145.63 128.23 16.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 74.44 110.861 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.6 m -137.76 151.58 25.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 74.23 111.125 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.8 m -92.35 132.57 36.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 63.31 111.076 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -122.39 150.36 42.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 72.52 110.884 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 86.0 m -137.04 144.7 43.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 63.15 110.852 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.1 ptt180 -53.29 -36.14 60.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 71.24 110.929 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.739 . . . . 63.25 112.495 -179.953 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 73.5 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.832 0.348 . . . . 61.14 110.856 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 24.1 ptt180 -121.99 146.17 47.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 73.24 110.87 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -93.67 129.78 39.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 75.25 110.889 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.9 mt -112.14 110.25 20.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 72.14 110.891 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 77.1 m -99.4 129.89 45.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 74.53 110.892 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -154.95 131.25 10.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 73.13 110.884 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.8 mtpt 65.12 58.3 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 70.33 110.913 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 50.19 34.18 8.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 70.13 110.928 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -135.41 160.27 38.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 72.1 110.861 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 52.8 m -145.05 130.33 18.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 74.44 110.865 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -139.29 151.69 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 74.23 111.164 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.0 m -92.21 132.27 36.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 63.31 111.086 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -122.4 150.43 42.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 72.52 110.913 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 75.5 m -137.78 142.16 40.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 63.15 110.901 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -52.83 -35.84 57.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 71.24 110.821 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 63.25 112.414 -179.902 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 80.7 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.811 0.338 . . . . 61.14 110.901 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.3 ptt180 -122.4 146.77 47.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 73.24 110.814 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -93.63 129.52 39.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 75.25 110.911 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.2 mt -112.14 110.24 20.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 72.14 110.907 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.7 m -99.31 129.71 45.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 74.53 110.876 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -154.98 131.64 10.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 73.13 110.907 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt 65.06 58.14 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.503 . . . . 70.33 110.899 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 50.11 34.24 8.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 70.13 110.951 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -135.34 160.37 38.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 72.1 110.881 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 56.3 m -145.25 129.5 17.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 74.44 110.901 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.5 151.71 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 74.23 111.11 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.9 m -92.61 132.39 36.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 63.31 111.198 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -123.62 152.59 41.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 72.52 110.951 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 71.3 m -135.15 151.28 50.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 63.15 110.879 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -35.82 47.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 71.24 110.821 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.754 -0.736 . . . . 63.25 112.447 -179.925 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 77.9 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.806 0.336 . . . . 61.14 110.851 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -122.27 146.95 46.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 73.24 110.844 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -93.88 129.49 40.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 75.25 110.858 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.6 mt -112.09 110.18 20.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 72.14 110.947 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.5 m -99.36 129.83 45.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 74.53 110.973 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -155.04 131.3 10.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 73.13 110.898 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt 65.2 58.17 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 70.33 110.919 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 50.23 34.14 8.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 70.13 110.913 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 -135.13 160.24 38.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 72.1 110.829 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 57.4 m -145.48 129.23 17.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 74.44 110.871 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.31 151.64 24.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 74.23 111.133 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.6 m -92.69 132.06 37.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 63.31 111.107 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -122.88 151.01 42.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 72.52 110.907 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 70.9 m -134.83 149.62 50.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 63.15 110.879 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -53.0 -36.14 60.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 71.24 110.835 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 C-N-CA 120.799 -0.715 . . . . 63.25 112.477 -179.987 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 76.0 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.839 0.352 . . . . 61.14 110.905 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.577 ' HD2' HD21 ' A' ' 5' ' ' LEU . 7.2 ptt-85 -122.11 146.01 47.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 73.24 110.873 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -93.45 129.91 39.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 75.25 110.892 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.577 HD21 ' HD2' ' A' ' 3' ' ' ARG . 47.3 mt -112.3 110.26 20.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 72.14 110.94 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 79.1 m -99.37 129.85 45.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 74.53 110.884 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -155.02 131.28 10.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 73.13 110.95 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.6 mttt 65.04 58.35 0.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 70.33 110.905 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 50.24 34.09 8.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 70.13 110.876 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 -135.02 160.28 38.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 72.1 110.874 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 56.4 m -145.36 129.08 17.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.452 . . . . 74.44 110.885 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.3 151.7 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 74.23 111.113 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.0 m -92.16 132.28 36.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 63.31 111.129 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -122.5 149.31 44.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 72.52 110.92 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 85.3 m -136.08 144.1 44.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 63.15 110.935 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.2 ptt85 -52.76 -35.76 56.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 71.24 110.889 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 63.25 112.507 -179.919 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 86.0 m . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.889 0.376 . . . . 61.14 110.84 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 21.9 ptt180 -122.07 145.83 47.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 73.24 110.908 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -93.12 129.82 38.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 75.25 110.873 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.2 mt -112.24 110.13 20.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 72.14 110.998 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.1 m -99.19 129.88 45.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 74.53 110.898 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -155.09 131.42 10.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.19 -0.459 . . . . 73.13 110.95 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.5 mttt 65.03 58.25 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 70.33 110.923 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 50.18 34.12 8.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.424 . . . . 70.13 110.933 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -135.15 160.36 38.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 72.1 110.851 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 54.8 m -145.44 129.16 17.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 74.44 110.871 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.15 151.64 25.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 74.23 111.16 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.6 m -92.06 132.28 36.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 63.31 111.154 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -123.3 152.91 40.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 72.52 110.911 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 72.7 m -136.82 150.66 48.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.496 . . . . 63.15 110.846 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.8 ptt85 -51.98 -36.02 48.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.491 . . . . 71.24 110.931 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.634 -0.793 . . . . 63.25 112.519 -179.965 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 76.5 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.799 0.333 . . . . 61.14 110.921 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -122.39 146.49 47.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 73.24 110.904 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -93.34 129.94 39.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 75.25 110.898 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.1 mt -112.24 110.22 20.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 72.14 110.947 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.8 m -99.42 129.68 45.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 74.53 110.874 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -155.04 131.46 10.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 73.13 110.916 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.4 mttt 65.07 58.3 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 70.33 110.866 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 50.28 34.1 8.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 70.13 110.946 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 mtp85 -135.1 160.27 38.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 72.1 110.841 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 59.4 m -145.69 128.7 16.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 74.44 110.861 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.6 m -138.32 151.54 24.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 74.23 111.152 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.9 m -92.06 132.52 36.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 63.31 111.2 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -122.24 150.98 41.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 72.52 110.894 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.6 m -137.19 145.34 43.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.485 . . . . 63.15 110.863 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -53.24 -35.97 60.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.499 . . . . 71.24 110.868 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.239 0 C-N-CA 120.691 -0.766 . . . . 63.25 112.427 -179.935 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 84.0 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.798 0.332 . . . . 61.14 110.871 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -122.13 146.16 47.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 73.24 110.872 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -93.26 129.7 39.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 75.25 110.933 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.9 mt -112.19 110.24 20.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 72.14 110.929 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 79.4 m -99.3 129.85 45.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 74.53 110.917 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -154.99 131.52 10.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 73.13 110.907 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.0 mttt 64.96 58.31 0.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 70.33 110.864 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 50.29 34.01 8.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 70.13 110.868 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -135.1 160.25 38.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.286 -0.416 . . . . 72.1 110.848 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 56.5 m -145.28 129.06 17.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 74.44 110.885 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.18 151.74 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 74.23 111.171 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.3 m -92.32 132.28 36.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.471 . . . . 63.31 111.14 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -123.35 152.66 41.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 72.52 111.012 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 71.9 m -136.22 151.02 49.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.087 -0.506 . . . . 63.15 110.879 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -52.12 -35.76 49.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 71.24 110.858 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 C-N-CA 120.722 -0.752 . . . . 63.25 112.434 -179.958 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 82.4 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.766 0.317 . . . . 61.14 110.864 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 27.1 ptt180 -123.4 145.49 48.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 73.24 110.929 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -90.04 129.84 36.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 75.25 110.862 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 79.0 mt -112.18 110.15 20.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 72.14 110.978 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.2 m -99.32 129.3 45.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 74.53 110.9 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -154.96 132.32 11.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 73.13 110.885 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.2 mttt 64.86 57.89 0.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 70.33 110.921 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 50.36 34.23 8.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 70.13 110.912 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -135.58 160.29 38.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 72.1 110.848 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 58.2 m -144.88 128.14 16.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.95 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.47 151.73 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 74.23 111.143 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.8 m -91.23 131.86 36.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 63.31 111.139 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -121.64 152.53 39.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.261 -0.427 . . . . 72.52 110.954 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 73.2 m -136.47 149.16 48.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 63.15 110.915 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -52.81 -35.91 57.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 71.24 110.772 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.708 -0.758 . . . . 63.25 112.458 -179.896 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 74.3 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.876 0.37 . . . . 61.14 110.909 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -122.44 146.11 47.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 73.24 110.831 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -92.34 129.99 38.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 75.25 110.872 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.7 mt -112.25 110.19 20.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 72.14 110.921 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.8 m -99.44 129.65 45.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 74.53 110.836 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -155.08 131.17 10.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 73.13 110.911 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 65.32 58.33 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 70.33 110.878 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 50.3 34.01 8.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 70.13 110.893 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -134.91 160.27 38.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 72.1 110.896 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 59.4 m -145.81 128.88 16.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 74.44 110.897 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.6 m -138.79 151.57 23.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.093 -0.503 . . . . 74.23 111.098 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.9 m -91.68 132.19 36.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 63.31 111.144 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -122.59 152.67 40.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 72.52 110.972 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 77.7 m -135.73 150.49 49.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 63.15 110.877 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -52.05 -35.87 48.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 71.24 110.871 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.786 -0.721 . . . . 63.25 112.471 -179.932 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 74.8 m . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.779 0.323 . . . . 61.14 110.904 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -122.65 145.35 48.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 73.24 110.931 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -92.39 130.31 38.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 75.25 110.891 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.7 mt -112.59 110.17 20.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 72.14 110.938 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.5 m -99.47 129.51 45.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 74.53 110.857 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -155.05 131.51 10.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.144 -0.48 . . . . 73.13 110.901 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.2 mtmt 65.08 58.38 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.492 . . . . 70.33 110.929 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 50.23 34.23 8.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 70.13 110.899 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -134.94 160.35 38.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 72.1 110.894 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 63.3 m -146.05 128.03 15.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 74.44 110.935 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.5 m -138.23 150.92 24.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 74.23 111.14 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.2 m -91.38 132.39 36.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 63.31 111.119 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -121.93 151.11 41.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 72.52 110.879 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 84.1 m -137.32 143.46 42.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 63.15 110.903 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -52.15 -35.83 49.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 71.24 110.865 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.71 -0.757 . . . . 63.25 112.53 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.708 0 CA-C-O 125.428 2.537 . . . . 73.45 106.407 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 73.7 m -109.04 134.48 51.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 111.588 -2.551 . . . . 61.14 110.894 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -122.08 146.19 47.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 73.24 110.898 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -93.56 129.8 39.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 75.25 110.858 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.2 mt -112.05 110.22 20.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 72.14 110.936 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.7 m -99.43 129.75 45.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 74.53 110.915 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -155.01 131.63 10.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 73.13 110.913 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt 65.05 58.19 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 70.33 110.898 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 50.16 34.16 8.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 70.13 110.947 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -135.44 160.27 38.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 72.1 110.84 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 54.8 m -145.1 129.86 18.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.901 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -139.02 151.67 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 74.23 111.154 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.7 m -92.18 132.36 36.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 63.31 111.144 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -122.19 151.97 40.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 72.52 110.931 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 79.6 m -139.03 141.1 38.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 63.15 110.882 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -52.6 -36.15 55.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 71.24 110.916 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.49 -34.92 87.57 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 63.25 112.509 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 -63.04 -48.88 76.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.851 0.358 . . . . 71.44 110.896 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 22.22 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.665 0 CA-C-O 125.409 2.528 . . . . 73.45 106.41 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 75.9 m -109.18 134.47 51.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 111.63 -2.532 . . . . 61.14 110.82 -179.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.469 ' NH1' HD11 ' A' ' 5' ' ' LEU . 15.9 ptt85 -122.02 145.81 47.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 73.24 110.842 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -93.49 129.65 39.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 75.25 110.948 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.469 HD11 ' NH1' ' A' ' 3' ' ' ARG . 41.4 mt -112.0 110.27 20.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 72.14 110.941 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.8 m -99.36 129.67 45.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 74.53 110.849 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -154.98 131.72 10.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 73.13 110.921 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.1 mtmm 65.0 58.26 0.92 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 70.33 110.881 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 50.13 34.1 7.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 70.13 110.921 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -135.55 160.28 38.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 72.1 110.885 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 49.2 m -145.12 129.94 18.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 74.44 110.891 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.74 151.62 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 74.23 111.103 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.7 m -92.03 132.21 36.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 63.31 111.178 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -122.59 149.11 44.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 72.52 110.885 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 85.5 m -135.99 145.42 46.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.047 -0.524 . . . . 63.15 110.894 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.5 ptt85 -52.96 -36.37 59.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 71.24 110.902 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -86.93 57.82 4.62 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.69 -0.767 . . . . 63.25 112.529 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.1 ttp85 -79.84 90.23 5.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.758 0.313 . . . . 71.44 110.839 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 22.22 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.699 0 CA-C-O 125.396 2.522 . . . . 73.45 106.442 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 73.0 m -109.02 134.66 51.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 111.631 -2.531 . . . . 61.14 110.921 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -121.93 145.96 47.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 73.24 110.864 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -93.69 129.74 39.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 75.25 110.866 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.7 mt -112.02 110.11 20.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 72.14 110.979 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.3 m -99.36 129.58 45.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 74.53 110.884 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -155.01 131.87 10.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.208 -0.451 . . . . 73.13 110.974 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.9 mttt 64.85 58.11 0.98 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.158 -0.474 . . . . 70.33 110.931 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 50.3 34.19 8.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 70.13 110.934 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 -135.49 160.3 38.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.201 -0.454 . . . . 72.1 110.871 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 56.6 m -145.27 129.09 17.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 74.44 110.912 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.15 151.72 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 74.23 111.124 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.3 m -92.33 132.38 36.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 63.31 111.131 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -122.28 150.68 42.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 72.52 110.907 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 75.1 m -138.05 140.71 40.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.058 -0.519 . . . . 63.15 110.937 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -53.16 -35.99 60.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 71.24 110.846 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.86 -33.4 43.12 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.727 -0.749 . . . . 63.25 112.408 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -71.1 83.18 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.333 . . . . 71.44 110.883 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 22.22 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.706 0 CA-C-O 125.422 2.534 . . . . 73.45 106.396 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 76.9 m -109.08 134.47 51.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 111.614 -2.539 . . . . 61.14 110.857 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -122.23 146.12 47.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 73.24 110.865 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -93.3 129.78 39.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 75.25 110.921 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.9 mt -112.18 110.25 20.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 72.14 110.865 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 79.5 m -99.4 129.81 45.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 74.53 110.831 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -155.0 131.41 10.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 73.13 110.964 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.8 mtmt 65.13 58.28 0.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 70.33 110.901 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 50.1 34.19 8.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 70.13 110.939 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -135.46 160.26 39.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 72.1 110.864 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 53.6 m -145.1 130.34 18.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 74.44 110.889 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -139.39 151.71 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 74.23 111.138 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.7 m -92.05 132.18 36.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 63.31 111.095 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -122.62 150.76 42.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 72.52 110.94 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 81.9 m -136.8 146.65 45.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 63.15 110.883 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -53.17 -35.71 60.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 71.24 110.918 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.17 -37.66 59.56 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.81 -0.71 . . . . 63.25 112.474 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.2 ttm-85 -80.54 82.48 6.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.83 0.348 . . . . 71.44 110.91 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 22.22 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.715 0 CA-C-O 125.422 2.534 . . . . 73.45 106.423 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 75.5 m -108.93 134.49 51.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 111.618 -2.537 . . . . 61.14 110.835 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.684 ' HD2' HD21 ' A' ' 5' ' ' LEU . 2.1 ptp180 -121.98 146.11 47.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 73.24 110.937 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -93.65 129.65 39.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.312 -0.404 . . . . 75.25 110.945 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.684 HD21 ' HD2' ' A' ' 3' ' ' ARG . 42.5 mt -112.09 110.18 20.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 72.14 110.932 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.5 m -99.25 129.79 45.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 74.53 110.909 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -155.02 131.57 10.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 73.13 110.951 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.6 mtmm 64.99 58.29 0.92 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 70.33 110.901 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 50.08 34.24 8.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 70.13 110.946 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -135.59 160.15 39.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 72.1 110.852 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 51.6 m -145.05 129.77 18.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.867 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.56 151.75 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 74.23 111.103 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.3 m -92.42 132.34 36.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 63.31 111.12 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -122.59 149.3 44.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 72.52 110.894 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 85.5 m -135.9 145.76 46.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.065 -0.516 . . . . 63.15 110.952 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -53.94 -35.95 62.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 71.24 110.871 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -82.05 57.82 4.95 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.69 -0.767 . . . . 63.25 112.51 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -114.64 174.86 5.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.789 0.328 . . . . 71.44 110.832 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 22.22 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.679 0 CA-C-O 125.347 2.499 . . . . 73.45 106.45 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 74.9 m -108.85 134.45 51.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 111.66 -2.518 . . . . 61.14 110.9 -179.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -121.95 146.31 47.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 73.24 110.845 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -93.81 129.77 40.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 75.25 110.86 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.7 mt -112.17 110.27 20.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 72.14 110.884 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.3 m -99.36 129.78 45.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 74.53 110.88 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -155.0 131.64 10.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.129 -0.487 . . . . 73.13 110.881 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt 65.02 58.21 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 70.33 110.929 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 50.1 34.19 8.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 70.13 110.918 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -135.42 160.14 39.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 72.1 110.905 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 52.7 m -144.99 130.01 18.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.905 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.89 151.65 23.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 74.23 111.122 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.4 m -92.33 132.28 36.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 63.31 111.213 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -122.44 149.5 43.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 72.52 110.923 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 84.9 m -136.6 144.11 43.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 63.15 110.889 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -52.97 -35.82 59.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 71.24 110.917 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -108.52 45.44 1.31 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.718 -0.753 . . . . 63.25 112.532 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -80.43 58.27 3.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.821 0.343 . . . . 71.44 110.911 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 22.22 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.714 0 CA-C-O 125.384 2.516 . . . . 73.45 106.415 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 74.0 m -108.83 134.49 51.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 111.678 -2.51 . . . . 61.14 110.912 -179.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -122.12 146.13 47.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 73.24 110.804 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -93.46 129.88 39.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.488 . . . . 75.25 110.809 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.7 mt -112.26 110.33 20.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 72.14 110.901 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.4 m -99.36 129.7 45.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 74.53 110.935 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -154.97 131.63 10.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 73.13 110.957 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 64.97 58.26 0.93 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 70.33 110.907 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 50.12 34.18 8.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 70.13 110.951 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -135.63 160.18 39.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 72.1 110.86 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 47.4 m -144.92 130.05 18.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 74.44 110.879 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.99 151.69 23.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 74.23 111.125 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.0 m -92.13 132.36 36.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 63.31 111.154 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -122.4 150.91 41.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 72.52 110.935 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 82.3 m -137.67 142.64 41.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 63.15 110.879 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -52.48 -35.86 53.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 71.24 110.893 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.43 58.58 4.41 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.679 -0.772 . . . . 63.25 112.469 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -140.92 141.94 34.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.737 0.303 . . . . 71.44 110.923 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 22.22 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.728 0 CA-C-O 125.412 2.529 . . . . 73.45 106.402 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 76.4 m -109.65 134.44 51.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 111.649 -2.523 . . . . 61.14 110.871 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.664 ' HD2' HD21 ' A' ' 5' ' ' LEU . 1.9 ptp180 -122.0 146.23 47.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 73.24 110.816 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -93.68 129.68 39.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 75.25 110.915 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.664 HD21 ' HD2' ' A' ' 3' ' ' ARG . 43.2 mt -112.08 110.2 20.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 72.14 110.997 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.0 m -99.28 129.75 45.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 74.53 110.886 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -155.0 131.55 10.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 73.13 110.893 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt 65.04 58.27 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 70.33 110.908 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 50.01 34.26 7.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 70.13 110.92 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -135.59 160.19 39.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 72.1 110.865 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 50.7 m -144.99 130.11 18.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 74.44 110.862 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.92 151.7 23.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 74.23 111.116 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.9 m -92.29 132.31 36.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.462 . . . . 63.31 111.123 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -122.89 151.93 41.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 72.52 110.929 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 85.6 m -137.61 146.83 44.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 63.15 110.878 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -51.97 -36.02 48.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 71.24 110.912 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.91 -33.46 50.15 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.795 -0.717 . . . . 63.25 112.446 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.4 tpt85 -59.99 -46.52 89.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.787 0.327 . . . . 71.44 110.861 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 22.22 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.656 0 CA-C-O 125.399 2.524 . . . . 73.45 106.375 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 77.1 m -109.0 134.32 51.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 111.597 -2.547 . . . . 61.14 110.837 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.3 ptt-85 -122.39 146.13 47.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 73.24 110.86 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -92.97 129.99 38.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.209 -0.45 . . . . 75.25 110.818 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 57.0 mt -112.28 110.2 20.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 72.14 110.918 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.4 m -99.22 129.76 45.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 74.53 110.933 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -155.12 131.58 10.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 73.13 110.891 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt 65.01 58.25 0.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.068 -0.515 . . . . 70.33 110.935 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 50.11 34.26 8.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 70.13 110.901 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -135.56 160.16 39.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 72.1 110.9 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 52.7 m -144.98 129.73 18.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 74.44 110.889 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.92 151.68 23.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 74.23 111.151 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.2 m -92.04 132.15 36.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 63.31 111.145 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -122.25 150.66 41.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 72.52 110.928 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.0 m -136.84 145.03 43.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 63.15 110.855 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -52.45 -35.94 53.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 71.24 110.814 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.14 47.36 3.12 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.741 . . . . 63.25 112.454 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -77.33 85.31 3.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.819 0.342 . . . . 71.44 110.847 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 22.22 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.723 0 CA-C-O 125.432 2.539 . . . . 73.45 106.466 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 74.5 m -108.96 134.5 51.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 111.642 -2.526 . . . . 61.14 110.871 -179.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -122.13 146.17 47.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 73.24 110.92 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -93.53 129.97 39.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.094 -0.503 . . . . 75.25 110.927 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.5 mt -112.2 110.11 20.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 72.14 110.989 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.8 m -99.46 129.49 45.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 74.53 110.917 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -154.95 131.5 10.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.162 -0.472 . . . . 73.13 110.947 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt 65.12 58.23 0.9 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 70.33 110.891 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 50.22 34.25 8.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 70.13 110.942 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.0 mtp85 -135.21 160.33 38.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 72.1 110.832 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 58.8 m -145.63 128.23 16.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 74.44 110.861 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.6 m -137.76 151.58 25.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 74.23 111.125 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.8 m -92.35 132.57 36.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 63.31 111.076 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -122.39 150.36 42.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 72.52 110.884 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 86.0 m -137.04 144.7 43.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 63.15 110.852 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.1 ptt180 -53.29 -36.14 60.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 71.24 110.929 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -91.38 55.91 3.15 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.739 . . . . 63.25 112.495 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -64.23 -55.88 18.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 71.44 110.883 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 22.22 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.714 0 CA-C-O 125.47 2.557 . . . . 73.45 106.422 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 73.5 m -108.99 134.71 51.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 111.585 -2.552 . . . . 61.14 110.856 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 24.1 ptt180 -121.99 146.17 47.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 73.24 110.87 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -93.67 129.78 39.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 75.25 110.889 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.9 mt -112.14 110.25 20.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 72.14 110.891 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 77.1 m -99.4 129.89 45.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 74.53 110.892 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -154.95 131.25 10.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 73.13 110.884 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.8 mtpt 65.12 58.3 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 70.33 110.913 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 50.19 34.18 8.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 70.13 110.928 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -135.41 160.27 38.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 72.1 110.861 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 52.8 m -145.05 130.33 18.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 74.44 110.865 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -139.29 151.69 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 74.23 111.164 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.0 m -92.21 132.27 36.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 63.31 111.086 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -122.4 150.43 42.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 72.52 110.913 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 75.5 m -137.78 142.16 40.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 63.15 110.901 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -52.83 -35.84 57.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 71.24 110.821 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.58 -40.35 54.99 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 63.25 112.414 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.12 -42.21 80.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.772 0.32 . . . . 71.44 110.809 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 22.22 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.699 0 CA-C-O 125.422 2.534 . . . . 73.45 106.372 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 80.7 m -108.88 133.74 52.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 111.603 -2.544 . . . . 61.14 110.901 -179.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.3 ptt180 -122.4 146.77 47.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 73.24 110.814 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -93.63 129.52 39.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 75.25 110.911 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.2 mt -112.14 110.24 20.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 72.14 110.907 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.7 m -99.31 129.71 45.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 74.53 110.876 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -154.98 131.64 10.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 73.13 110.907 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt 65.06 58.14 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.503 . . . . 70.33 110.899 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 50.11 34.24 8.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 70.13 110.951 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -135.34 160.37 38.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 72.1 110.881 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 56.3 m -145.25 129.5 17.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 74.44 110.901 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.5 151.71 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 74.23 111.11 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.9 m -92.61 132.39 36.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 63.31 111.198 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -123.62 152.59 41.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 72.52 110.951 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 71.3 m -135.15 151.28 50.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 63.15 110.879 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -35.82 47.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 71.24 110.821 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -84.56 55.25 4.99 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.754 -0.736 . . . . 63.25 112.447 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -97.61 102.07 13.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.761 0.315 . . . . 71.44 110.903 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.419 . . . . 22.22 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.68 0 CA-C-O 125.427 2.537 . . . . 73.45 106.456 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 77.9 m -109.04 133.77 52.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 111.623 -2.535 . . . . 61.14 110.851 -179.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -122.27 146.95 46.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 73.24 110.844 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -93.88 129.49 40.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 75.25 110.858 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.6 mt -112.09 110.18 20.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 72.14 110.947 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.5 m -99.36 129.83 45.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 74.53 110.973 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -155.04 131.3 10.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 73.13 110.898 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt 65.2 58.17 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 70.33 110.919 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 50.23 34.14 8.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 70.13 110.913 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 -135.13 160.24 38.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 72.1 110.829 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 57.4 m -145.48 129.23 17.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 74.44 110.871 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.31 151.64 24.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 74.23 111.133 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.6 m -92.69 132.06 37.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 63.31 111.107 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -122.88 151.01 42.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 72.52 110.907 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 70.9 m -134.83 149.62 50.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 63.15 110.879 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -53.0 -36.14 60.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 71.24 110.835 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.38 -62.09 4.11 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.799 -0.715 . . . . 63.25 112.477 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 51.97 44.35 29.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.867 0.365 . . . . 71.44 110.877 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 22.22 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.723 0 CA-C-O 125.463 2.554 . . . . 73.45 106.425 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 76.0 m -108.94 134.44 51.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 111.569 -2.56 . . . . 61.14 110.905 -179.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.577 ' HD2' HD21 ' A' ' 5' ' ' LEU . 7.2 ptt-85 -122.11 146.01 47.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 73.24 110.873 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -93.45 129.91 39.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 75.25 110.892 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.577 HD21 ' HD2' ' A' ' 3' ' ' ARG . 47.3 mt -112.3 110.26 20.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 72.14 110.94 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 79.1 m -99.37 129.85 45.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 74.53 110.884 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -155.02 131.28 10.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 73.13 110.95 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.6 mttt 65.04 58.35 0.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 70.33 110.905 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 50.24 34.09 8.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 70.13 110.876 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 -135.02 160.28 38.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 72.1 110.874 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 56.4 m -145.36 129.08 17.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.452 . . . . 74.44 110.885 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.3 151.7 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 74.23 111.113 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.0 m -92.16 132.28 36.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 63.31 111.129 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -122.5 149.31 44.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 72.52 110.92 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 85.3 m -136.08 144.1 44.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 63.15 110.935 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.2 ptt85 -52.76 -35.76 56.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 71.24 110.889 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -106.07 44.98 1.37 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 63.25 112.507 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -52.37 -52.69 52.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.815 0.341 . . . . 71.44 110.853 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 22.22 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.699 0 CA-C-O 125.41 2.529 . . . . 73.45 106.354 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 86.0 m -109.36 133.84 52.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 111.612 -2.54 . . . . 61.14 110.84 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 21.9 ptt180 -122.07 145.83 47.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 73.24 110.908 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -93.12 129.82 38.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 75.25 110.873 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.2 mt -112.24 110.13 20.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 72.14 110.998 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.1 m -99.19 129.88 45.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 74.53 110.898 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -155.09 131.42 10.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.19 -0.459 . . . . 73.13 110.95 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.5 mttt 65.03 58.25 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 70.33 110.923 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 50.18 34.12 8.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.424 . . . . 70.13 110.933 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -135.15 160.36 38.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 72.1 110.851 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 54.8 m -145.44 129.16 17.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 74.44 110.871 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.15 151.64 25.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 74.23 111.16 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.6 m -92.06 132.28 36.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 63.31 111.154 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -123.3 152.91 40.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 72.52 110.911 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 72.7 m -136.82 150.66 48.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.496 . . . . 63.15 110.846 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.8 ptt85 -51.98 -36.02 48.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.491 . . . . 71.24 110.931 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.64 -60.99 7.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.634 -0.793 . . . . 63.25 112.519 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -73.35 -37.32 66.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.756 0.312 . . . . 71.44 110.818 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 22.22 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.638 0 CA-C-O 125.395 2.522 . . . . 73.45 106.365 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 76.5 m -108.85 134.29 51.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 111.622 -2.535 . . . . 61.14 110.921 -179.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -122.39 146.49 47.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 73.24 110.904 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -93.34 129.94 39.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 75.25 110.898 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.1 mt -112.24 110.22 20.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 72.14 110.947 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.8 m -99.42 129.68 45.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 74.53 110.874 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -155.04 131.46 10.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 73.13 110.916 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.4 mttt 65.07 58.3 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 70.33 110.866 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 50.28 34.1 8.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 70.13 110.946 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 mtp85 -135.1 160.27 38.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 72.1 110.841 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 59.4 m -145.69 128.7 16.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 74.44 110.861 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.6 m -138.32 151.54 24.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 74.23 111.152 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.9 m -92.06 132.52 36.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 63.31 111.2 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -122.24 150.98 41.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 72.52 110.894 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.6 m -137.19 145.34 43.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.485 . . . . 63.15 110.863 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -53.24 -35.97 60.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.499 . . . . 71.24 110.868 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.63 -33.59 59.51 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.691 -0.766 . . . . 63.25 112.427 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.4 mtt-85 -74.36 85.47 1.97 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.791 0.329 . . . . 71.44 110.85 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 22.22 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.704 0 CA-C-O 125.451 2.548 . . . . 73.45 106.438 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 84.0 m -109.29 133.69 52.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 111.595 -2.548 . . . . 61.14 110.871 -179.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -122.13 146.16 47.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 73.24 110.872 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -93.26 129.7 39.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 75.25 110.933 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.9 mt -112.19 110.24 20.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 72.14 110.929 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 79.4 m -99.3 129.85 45.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 74.53 110.917 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -154.99 131.52 10.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 73.13 110.907 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.0 mttt 64.96 58.31 0.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 70.33 110.864 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 50.29 34.01 8.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 70.13 110.868 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -135.1 160.25 38.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.286 -0.416 . . . . 72.1 110.848 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 56.5 m -145.28 129.06 17.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 74.44 110.885 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.18 151.74 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 74.23 111.171 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.3 m -92.32 132.28 36.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.471 . . . . 63.31 111.14 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -123.35 152.66 41.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 72.52 111.012 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 71.9 m -136.22 151.02 49.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.087 -0.506 . . . . 63.15 110.879 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -52.12 -35.76 49.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 71.24 110.858 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.24 -33.33 38.3 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.722 -0.752 . . . . 63.25 112.434 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -52.22 -55.37 21.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.75 0.309 . . . . 71.44 110.828 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 22.22 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.686 0 CA-C-O 125.43 2.538 . . . . 73.45 106.36 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 82.4 m -109.29 133.79 52.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 111.573 -2.558 . . . . 61.14 110.864 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 27.1 ptt180 -123.4 145.49 48.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 73.24 110.929 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -90.04 129.84 36.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 75.25 110.862 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 79.0 mt -112.18 110.15 20.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 72.14 110.978 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.2 m -99.32 129.3 45.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 74.53 110.9 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -154.96 132.32 11.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 73.13 110.885 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.2 mttt 64.86 57.89 0.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 70.33 110.921 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 50.36 34.23 8.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 70.13 110.912 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -135.58 160.29 38.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 72.1 110.848 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 58.2 m -144.88 128.14 16.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.95 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.47 151.73 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 74.23 111.143 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.8 m -91.23 131.86 36.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 63.31 111.139 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -121.64 152.53 39.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.261 -0.427 . . . . 72.52 110.954 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 73.2 m -136.47 149.16 48.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 63.15 110.915 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -52.81 -35.91 57.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 71.24 110.772 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -91.18 61.45 2.94 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.708 -0.758 . . . . 63.25 112.458 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 78.7 mtm-85 -63.12 -65.57 0.67 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.773 0.321 . . . . 71.44 110.824 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 22.22 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.726 0 CA-C-O 125.413 2.53 . . . . 73.45 106.444 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 74.3 m -108.96 133.92 52.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 111.685 -2.507 . . . . 61.14 110.909 -179.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -122.44 146.11 47.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 73.24 110.831 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -92.34 129.99 38.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 75.25 110.872 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.7 mt -112.25 110.19 20.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 72.14 110.921 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.8 m -99.44 129.65 45.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 74.53 110.836 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -155.08 131.17 10.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 73.13 110.911 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 65.32 58.33 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 70.33 110.878 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 50.3 34.01 8.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 70.13 110.893 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -134.91 160.27 38.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 72.1 110.896 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 59.4 m -145.81 128.88 16.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 74.44 110.897 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.6 m -138.79 151.57 23.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.093 -0.503 . . . . 74.23 111.098 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.9 m -91.68 132.19 36.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 63.31 111.144 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -122.59 152.67 40.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 72.52 110.972 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 77.7 m -135.73 150.49 49.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 63.15 110.877 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -52.05 -35.87 48.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 71.24 110.871 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -93.0 37.81 3.31 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.786 -0.721 . . . . 63.25 112.471 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -56.83 -54.05 50.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.776 0.322 . . . . 71.44 110.834 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 22.22 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.666 0 CA-C-O 125.415 2.531 . . . . 73.45 106.415 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 74.8 m -109.04 134.11 52.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 111.603 -2.544 . . . . 61.14 110.904 -179.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -122.65 145.35 48.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 73.24 110.931 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -92.39 130.31 38.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 75.25 110.891 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.7 mt -112.59 110.17 20.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 72.14 110.938 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.5 m -99.47 129.51 45.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 74.53 110.857 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -155.05 131.51 10.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.144 -0.48 . . . . 73.13 110.901 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.2 mtmt 65.08 58.38 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.492 . . . . 70.33 110.929 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 50.23 34.23 8.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 70.13 110.899 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -134.94 160.35 38.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 72.1 110.894 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 63.3 m -146.05 128.03 15.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 74.44 110.935 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.5 m -138.23 150.92 24.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 74.23 111.14 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.2 m -91.38 132.39 36.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 63.31 111.119 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -121.93 151.11 41.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 72.52 110.879 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 84.1 m -137.32 143.46 42.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 63.15 110.903 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -52.15 -35.83 49.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 71.24 110.865 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.79 -33.52 49.51 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.71 -0.757 . . . . 63.25 112.53 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 46.6 mtt180 -76.87 65.89 2.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.749 0.309 . . . . 71.44 110.913 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 22.22 . . . . . . . . . . 0 0 . 1 stop_ save_