data_2m4x_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2m4x _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.1 p . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.904 0.383 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.419 ' HA ' ' CB ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -61.28 93.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -90.88 -102.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.2 tp -90.25 140.75 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 55.11 18.58 2.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.419 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 2.7 mmmt -101.01 128.85 46.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.35 143.64 56.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 25.5 p -117.92 128.6 54.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.626 0.727 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.868 0.366 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -59.96 148.85 33.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.849 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -50.32 150.01 2.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.92 -1.7 40.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.9 m -59.93 -21.71 61.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.61 149.52 13.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -75.29 81.03 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 93.5 mt -115.91 150.04 37.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.6 m -130.7 149.94 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.3 p -145.23 21.89 1.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.9 p -60.86 -75.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.71 -20.62 17.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.837 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -62.85 -165.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 p -59.83 165.65 3.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.2 mtm105 -59.66 -19.88 52.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 47.7 p90 -103.67 145.31 30.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.6 m -60.03 129.76 43.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.2 mtpp -131.6 150.11 52.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.2 p90 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.9 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.881 0.372 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.413 ' HA ' ' CB ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -62.0 93.56 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -90.93 -101.88 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.3 tp -90.28 140.98 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 55.29 17.74 2.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.413 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 44.1 mmtt -101.0 129.97 46.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.36 139.51 58.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.1 p -110.87 148.08 33.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.612 0.72 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.83 0.348 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.4 148.55 36.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 t -50.03 149.52 2.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.0 mmtt -81.46 -0.11 40.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 72.4 m -60.27 -24.31 64.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.4 m -163.97 149.01 10.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.34 105.65 3.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.966 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.7 mt -143.5 149.68 37.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.7 m -130.45 149.71 33.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.138 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.9 p -145.94 17.43 1.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.76 -75.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 ptt-85 -96.27 -19.99 18.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.13 -165.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.4 p -59.8 165.11 3.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 74.0 mtt-85 -59.75 -19.86 52.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 43.7 p90 -102.61 142.97 32.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.5 m -59.93 129.87 43.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -137.94 150.26 46.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.9 p90 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.942 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.1 p . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.883 0.373 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.422 ' HA ' ' CB ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -62.6 93.35 0.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -91.0 -102.01 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.1 tp -90.24 140.49 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.155 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 56.28 16.88 2.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.422 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 3.3 mmmt -100.98 130.1 46.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.858 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.92 141.13 58.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 27.7 p -113.13 145.38 41.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 121.657 0.741 . . . . 0.0 110.838 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.893 0.378 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.59 149.93 33.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.0 t -49.95 150.04 2.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 tpmp? -89.08 43.84 1.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.948 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.7 m -110.0 -2.25 17.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.41 150.05 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.836 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -69.91 84.57 0.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.916 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.9 mt -124.3 149.83 46.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.0 m -137.19 149.98 26.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.127 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.2 p -144.71 24.44 1.52 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.2 m -60.89 -76.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.06 -20.29 16.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -62.06 -164.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.5 p -59.75 164.21 3.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.169 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 65.7 mtt-85 -59.7 -19.86 52.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 43.1 p90 -102.81 143.48 32.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.968 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.5 m -59.96 128.64 37.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -134.9 150.24 50.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.0 p90 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 -179.962 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.0 p . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.836 0.35 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.427 ' HA ' ' CB ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -62.0 93.73 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -91.08 -102.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.4 tp -90.28 140.18 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 56.15 17.28 2.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.427 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 25.4 mmmt -100.97 130.04 46.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.59 142.13 58.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.7 p -113.56 134.72 54.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 34.0 p30 . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.602 0.715 . . . . 0.0 110.905 179.984 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.88 0.372 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.0 149.59 31.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.9 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 t -50.31 146.78 4.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.815 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.4 tptt -80.96 -1.88 45.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.953 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.04 -22.73 64.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.6 m -161.55 147.8 14.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.26 104.07 3.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.8 mt -141.83 150.01 41.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.1 m -130.69 148.22 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.4 p -145.14 21.2 1.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 p -60.74 -75.16 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -98.93 -20.08 16.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.865 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.8 tptt -62.99 -165.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 p -59.87 165.91 2.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.154 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.2 mtm-85 -59.69 -19.85 52.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 48.4 p90 -103.69 144.11 31.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.94 130.17 45.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -132.9 150.09 52.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.7 p90 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.2 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.877 0.37 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.418 ' HA ' ' CB ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -62.49 93.97 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -90.88 -101.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.2 tp -90.24 140.74 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.144 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 55.11 17.8 2.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.418 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 14.4 mmtp -101.02 130.13 46.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.76 144.34 52.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.085 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.2 p -117.81 131.79 56.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 37.4 p30 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.642 0.734 . . . . 0.0 110.88 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.782 0.325 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.2 148.98 34.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.9 t -50.16 148.83 3.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.1 tptt -82.2 0.55 40.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.7 m -60.27 -24.38 64.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.9 m -162.59 149.74 13.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -70.02 101.13 1.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.3 mt -138.57 150.06 45.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 88.2 t -131.88 144.48 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.1 p -141.31 22.12 2.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.8 m -61.11 -75.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -98.34 -19.95 17.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -62.02 -167.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.77 168.43 1.74 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 50.3 mtm180 -59.6 -19.94 52.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 49.1 p90 -104.29 145.54 30.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.96 129.07 39.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.5 mtmm -122.67 150.06 43.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.1 p90 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.948 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.9 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.892 0.377 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.409 ' HA ' ' CB ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -61.72 93.39 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -90.95 -101.85 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.2 tp -90.2 141.43 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.136 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 54.12 19.02 1.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.409 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 28.4 mmtm -100.93 130.02 46.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.1 139.32 58.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.053 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 20.9 p -110.16 141.11 43.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 121.597 0.713 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.828 0.347 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -59.95 149.7 31.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -50.18 149.98 2.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.5 -1.09 40.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.1 t -60.04 -23.66 63.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.42 149.91 19.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.1 73.24 2.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 mt -108.02 150.02 27.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.7 t -131.63 147.82 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.8 p -144.05 22.42 1.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.6 p -61.49 -75.56 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.812 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.45 -20.56 17.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -165.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.958 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 p -59.89 165.46 3.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 51.1 mtp85 -59.68 -19.87 52.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 44.5 p90 -102.76 144.11 31.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.97 128.7 38.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.856 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -130.85 150.11 52.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.4 p90 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 -179.955 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.6 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.86 0.362 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.406 ' HA ' ' CB ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -62.51 93.37 0.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -90.77 -101.99 0.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.1 tp -90.2 141.08 14.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.155 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 55.38 17.74 2.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.406 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 30.1 mmtt -101.04 130.05 46.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.51 141.19 58.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.09 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.1 p -114.54 142.94 45.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 121.627 0.727 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.885 0.374 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.3 149.98 31.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 t -49.9 149.95 2.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.5 mmmt -77.37 -3.72 41.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 t -59.86 -20.39 56.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.825 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.28 147.63 10.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.27 67.1 2.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.1 mt -100.98 150.08 23.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.0 m -128.35 147.19 32.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.0 p -141.43 14.71 2.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.8 t -57.92 -75.56 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.8 mtt85 -94.38 -19.92 20.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.843 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -65.46 -168.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.86 169.3 1.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 64.4 mtm-85 -59.63 -19.89 52.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 48.2 p90 -104.24 143.92 32.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.0 130.74 48.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -131.24 150.01 52.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.2 p90 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 179.993 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.7 p . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.848 0.356 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.411 ' HA ' ' CB ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -61.22 93.91 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -90.89 -101.9 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.1 tp -90.29 141.37 14.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 53.86 19.33 1.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.411 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 36.9 mmtt -101.03 130.13 46.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.62 138.97 58.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.09 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 18.3 p -108.84 126.4 53.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 51.0 p-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.614 0.721 . . . . 0.0 110.883 -179.962 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.797 0.332 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -59.92 149.1 32.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.828 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -50.15 147.37 4.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -80.97 -1.21 42.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 p -60.42 -25.09 65.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.823 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.5 m -158.47 150.04 21.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -73.05 100.8 3.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.9 mt -139.2 149.99 45.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.9 m -132.48 148.67 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 18.1 p -144.96 22.05 1.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.1 m -62.31 -75.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.7 mmm-85 -96.73 -19.95 18.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -165.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.6 p -59.78 165.12 3.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -59.67 -19.91 52.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 42.4 p90 -102.35 144.24 31.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.85 128.06 35.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.9 mtpp -129.01 150.15 50.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.2 p90 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.896 -179.948 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.6 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.889 0.376 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.411 ' HA ' ' CB ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -62.24 93.6 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -90.92 -101.85 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.2 tp -90.23 141.05 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 55.17 17.79 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.411 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 28.8 mmtm -101.0 130.12 46.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.93 139.88 58.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.6 p -112.13 148.17 34.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 121.655 0.74 . . . . 0.0 110.852 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.837 0.351 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.37 148.15 38.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -50.12 149.97 2.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -82.2 0.41 41.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.3 t -60.17 -24.5 64.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.857 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.1 m -163.29 149.98 12.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -70.97 102.44 2.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.0 mt -140.93 149.99 42.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.2 m -132.28 148.72 31.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 18.9 p -143.13 23.1 1.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.6 m -63.69 -75.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.801 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -96.68 -20.28 18.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.82 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.2 mttp -65.36 -167.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.4 p -59.76 166.72 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.6 mtm-85 -59.67 -19.89 52.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 43.6 p90 -102.16 143.55 31.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.5 m -59.93 129.31 41.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -134.44 150.16 50.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.1 p90 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.908 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.7 p . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.886 0.374 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.408 ' HA ' ' CB ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -61.46 93.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 -90.85 -101.9 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.3 tp -90.26 141.54 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 53.94 19.3 1.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.408 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 26.6 mmtt -100.92 129.75 46.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.94 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.8 139.38 58.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.075 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.5 p -111.72 125.48 54.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.607 0.717 . . . . 0.0 110.928 179.98 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.882 0.372 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -59.93 150.0 30.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -50.12 149.15 2.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt -82.8 -3.34 56.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.08 -23.7 64.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.0 m -159.99 149.75 18.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.835 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -72.69 107.67 5.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.2 mt -145.28 149.78 35.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.878 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.5 m -132.13 148.64 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.4 p -145.12 21.3 1.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.83 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.04 -75.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -95.53 -19.99 19.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -66.76 -166.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.4 p -59.8 165.21 3.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.19 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 41.3 mtm180 -59.59 -19.89 52.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 42.1 p90 -102.15 143.51 31.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.6 m -59.93 129.07 39.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -136.81 150.12 48.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.9 p90 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.935 -179.94 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.8 p . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.852 0.358 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.411 ' HA ' ' CB ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -62.9 93.51 0.06 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -90.97 -102.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.6 tp -90.2 140.87 15.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.187 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 55.5 17.67 2.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.411 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 46.3 mmtt -100.97 130.01 46.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.942 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.08 142.63 58.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.065 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.6 p -116.49 147.46 41.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.639 0.733 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.87 0.366 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.09 148.97 33.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.2 t -50.25 149.42 2.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.9 tptm -81.44 -3.2 52.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.34 -24.57 65.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.8 m -159.79 144.31 14.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.841 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -70.02 104.1 2.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.4 mt -142.83 150.04 39.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.9 t -129.39 145.45 35.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.8 p -141.47 16.47 2.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.1 m -59.8 -75.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -95.13 -20.04 19.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -65.06 -168.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.88 169.17 1.52 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.3 mtt180 -59.67 -19.87 52.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 48.1 p90 -104.68 144.2 32.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.95 132.36 53.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -134.57 150.14 50.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.2 p90 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.902 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.8 p . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.886 0.374 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.414 ' HA ' ' CB ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -61.45 93.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -90.92 -102.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.4 tp -90.26 141.09 14.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 54.5 18.94 2.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.414 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 15.4 mmtp -100.93 129.25 46.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.44 140.44 58.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 20.9 p -111.3 132.23 54.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 43.6 p-10 . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 121.679 0.752 . . . . 0.0 110.837 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.8 0.334 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.1 t -59.95 149.53 31.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -50.29 150.03 2.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -79.55 -1.33 37.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.6 t -59.96 -20.89 60.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.21 146.89 7.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.847 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.1 tptp -72.71 78.7 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 93.5 mt -112.49 150.03 31.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.8 m -132.29 150.07 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.077 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 24.6 p -143.66 15.23 1.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.0 m -56.98 -75.95 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -94.45 -20.16 19.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -67.16 -166.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.4 p -59.86 165.81 2.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.1 mtt180 -59.68 -19.86 52.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 43.6 p90 -102.47 144.13 31.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.971 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.6 m -59.9 129.49 42.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.68 150.15 47.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.2 p90 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.957 -179.995 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.5 p . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.869 0.366 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.403 ' HA ' ' CB ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -61.72 93.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -90.88 -102.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.1 tp -90.24 141.62 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 53.79 19.66 1.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.403 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 18.6 mmtp -100.97 129.76 46.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.84 139.45 58.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 24.4 p -111.21 147.2 35.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 121.58 0.705 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.821 0.343 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -59.88 149.81 30.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.0 t -50.0 144.62 6.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.97 -6.93 54.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.916 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.0 m -59.94 -22.02 61.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.3 m -157.9 147.15 19.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -75.92 105.17 6.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.6 mt -144.78 150.0 36.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.949 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.2 t -127.27 146.07 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.1 p -143.31 18.8 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.3 p -64.65 -75.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -93.32 -20.16 20.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -67.41 -167.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 p -59.81 167.23 2.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 73.1 mtt-85 -59.59 -19.9 52.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 46.8 p90 -102.96 144.02 31.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.9 m -59.95 129.68 43.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -134.94 150.16 50.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.928 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.2 p90 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.94 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.1 p . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.852 0.358 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.415 ' HA ' ' CB ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -62.12 93.21 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -90.89 -101.9 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.1 tp -90.25 141.3 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 54.39 18.91 2.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.415 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 21.0 mmtp -101.02 129.56 46.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.89 139.95 58.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.0 p -108.97 132.95 53.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.2 p30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.627 0.727 . . . . 0.0 110.855 -179.967 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.801 0.334 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.98 150.07 30.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 t -49.95 150.06 2.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.6 mmtt -88.74 43.27 1.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.03 -5.44 15.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.66 150.09 1.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -69.89 84.87 0.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.0 mt -122.78 149.05 44.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.9 t -134.09 147.76 30.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.0 p -144.41 21.23 1.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 p -66.51 -74.42 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.0 ptp85 -95.71 -20.02 19.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -66.38 -167.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.79 167.4 2.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.8 mtp85 -59.77 -19.9 53.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 49.4 p90 -103.91 144.05 32.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.4 m -59.96 130.48 46.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -129.46 150.13 50.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.0 p90 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 -179.976 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.4 p . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.864 0.364 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.4 ' HA ' ' CB ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -62.38 92.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.957 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -90.9 -102.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.1 tp -90.26 142.48 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.103 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 52.78 20.34 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.945 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.4 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 15.7 mmtp -100.9 139.82 36.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.66 133.4 47.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.6 p -108.14 133.66 52.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.86 0.362 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.89 149.96 30.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -50.12 149.97 2.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -82.71 -1.17 50.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.06 -24.69 64.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.857 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -159.65 149.96 18.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.5 tttm -72.54 97.8 2.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -133.91 149.98 51.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.9 m -133.11 144.52 36.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.8 p -142.75 14.92 1.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.3 m -51.47 -75.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -99.91 -20.09 16.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.917 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.6 mmmm -61.49 -167.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.86 167.86 2.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.17 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.4 mtm-85 -59.61 -19.93 52.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 49.1 p90 -103.76 141.89 35.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.97 132.5 54.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -130.24 150.07 51.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.1 p90 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.942 -179.952 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.5 p . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.892 0.377 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.411 ' HA ' ' CB ' ' A' ' 7' ' ' LYS . 0.6 OUTLIER -60.97 93.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -90.85 -102.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.3 tp -90.21 141.2 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.106 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 54.36 19.06 2.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.411 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 20.4 mmtp -100.96 128.2 47.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.79 141.98 58.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.7 p -113.21 142.31 45.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.597 0.713 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.822 0.344 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.95 150.07 29.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -49.93 148.65 3.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -77.52 -5.81 51.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 p -60.36 -19.74 56.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.32 146.79 17.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -78.4 70.9 4.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 93.7 mt -106.3 150.01 26.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.924 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.7 m -127.02 148.48 31.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.5 p -144.63 17.06 1.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.6 m -61.97 -75.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 35.9 mtt85 -94.01 -19.96 20.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.01 -166.12 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 p -59.86 166.06 2.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.0 mtp85 -59.61 -19.93 52.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 48.1 p90 -103.65 144.32 31.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.9 m -59.9 130.36 46.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt -138.36 150.24 46.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.3 p90 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.8 p . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.804 0.335 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.423 ' HA ' ' CB ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -62.24 92.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -91.07 -102.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.3 tp -90.35 140.64 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 56.3 17.24 2.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.423 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 25.3 mmmt -100.94 129.96 46.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.87 140.61 58.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.5 p -112.21 126.63 55.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 121.622 0.725 . . . . 0.0 110.906 179.967 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.848 0.356 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.96 149.98 30.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.41 150.07 2.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -79.06 -2.3 39.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.4 t -60.03 -21.94 62.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.75 150.03 17.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.866 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.0 tttm -76.19 66.31 2.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.5 mt -99.14 150.07 22.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.3 m -132.59 147.46 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.0 p -141.17 18.43 2.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.2 t -57.02 -75.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -96.89 -20.41 18.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -168.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.8 169.2 1.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.173 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.0 mtt85 -59.6 -19.84 51.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 49.3 p90 -103.8 143.9 32.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.98 131.7 51.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -130.8 150.11 52.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.2 p90 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.898 -179.946 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.2 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.869 0.366 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.413 ' HA ' ' CB ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -61.24 93.73 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -90.96 -101.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.2 tp -90.21 141.2 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.173 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 54.19 19.1 2.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.413 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 38.9 mmtt -101.02 130.04 46.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.75 138.63 58.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.0 p -108.93 127.16 53.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 19.0 p30 . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.635 0.731 . . . . 0.0 110.888 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.8 mm100 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.835 0.35 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.93 149.97 30.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -50.11 150.03 2.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -78.97 -2.54 40.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.5 m -59.98 -21.1 60.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.24 149.88 16.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -76.69 64.56 2.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.0 mt -97.9 150.02 21.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.968 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.5 m -131.26 149.9 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.6 p -145.77 22.44 1.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.8 t -61.73 -75.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.819 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -96.83 -20.24 18.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -65.02 -165.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 p -59.88 164.89 3.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.18 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 47.5 mtt85 -59.69 -19.9 52.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 42.2 p90 -102.17 143.69 31.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.08 131.01 49.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -136.49 150.25 48.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.9 p90 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.971 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.0 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.834 0.35 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.418 ' HA ' ' CB ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -62.71 92.27 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -90.95 -101.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.3 tp -90.28 141.28 14.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 55.27 18.07 2.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.852 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.418 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 16.8 mmtm -100.96 129.93 46.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.52 138.37 58.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.094 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.3 p -110.03 141.7 42.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.622 0.725 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.866 0.365 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -59.96 148.99 33.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -51.04 149.93 3.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.37 1.03 43.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -60.41 -25.87 66.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.6 m -160.7 149.62 16.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.881 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -70.08 100.39 1.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.6 mt -138.24 149.98 46.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.919 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.2 m -132.66 150.04 32.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.187 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.6 p -144.36 15.29 1.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.6 t -55.95 -74.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 37.4 mtt180 -98.09 -19.95 17.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -63.5 -168.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.401 ' CG2' ' CZ2' ' A' ' 30' ' ' TRP . 0.7 OUTLIER -59.89 168.31 1.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 28.5 mtp180 -59.71 -19.98 53.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.401 ' CZ2' ' CG2' ' A' ' 28' ' ' THR . 46.7 p90 -104.02 142.2 34.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.4 m -59.94 135.24 57.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.83 149.95 42.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.2 p90 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.928 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.7 p . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.832 0.348 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.416 ' HA ' ' CB ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -63.69 92.81 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -90.87 -101.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.2 tp -90.26 141.12 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.108 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 55.8 17.26 2.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.416 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 15.0 mmtp -100.97 130.03 46.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.99 137.52 57.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.1 p -106.0 132.44 52.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.5 p30 . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 0.0 110.904 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.838 0.351 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.52 150.02 32.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -49.94 150.09 2.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.07 43.77 1.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.5 m -110.04 -2.55 16.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.37 150.11 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -69.92 83.99 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.9 mt -124.25 149.85 45.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.5 m -139.16 145.81 26.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.7 p -134.65 8.41 3.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.0 t -54.48 -75.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.53 -19.97 22.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -68.36 -173.13 0.38 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.79 173.19 0.61 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.157 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 67.9 mtm180 -59.47 -19.73 49.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 46.2 p90 -104.14 141.91 35.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.2 m -59.96 128.35 36.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -127.54 150.08 49.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.2 p90 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.918 0.39 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.1 p -153.77 148.43 26.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.419 ' HA ' ' CB ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -61.28 93.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -90.88 -102.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.2 tp -90.25 140.75 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 55.11 18.58 2.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.419 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 2.7 mmmt -101.01 128.85 46.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.35 143.64 56.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 25.5 p -117.92 128.6 54.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.52 150.09 95.58 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.626 0.727 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -11.32 30.56 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.704 2.269 . . . . 0.0 112.358 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 t -86.66 -28.13 23.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.889 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.697 ' C ' ' H ' ' A' ' 15' ' ' GLN . 0.7 OUTLIER -112.52 -63.13 1.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 62.81 -19.27 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.856 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.697 ' H ' ' C ' ' A' ' 13' ' ' ASN . 33.7 mt-30 -71.32 95.68 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -59.96 148.85 33.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.849 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -50.32 150.01 2.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.92 -1.7 40.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.9 m -59.93 -21.71 61.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.61 149.52 13.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -75.29 81.03 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 93.5 mt -115.91 150.04 37.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.6 m -130.7 149.94 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.3 p -145.23 21.89 1.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.9 p -60.86 -75.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.71 -20.62 17.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.837 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -62.85 -165.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 p -59.83 165.65 3.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.2 mtm105 -59.66 -19.88 52.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 47.7 p90 -103.67 145.31 30.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.6 m -60.03 129.76 43.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.2 mtpp -131.6 150.11 52.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -69.84 150.06 47.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -87.01 129.28 34.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.8 mm . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 179.944 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.866 0.365 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.9 p -143.65 151.86 40.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.413 ' HA ' ' CB ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -62.0 93.56 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -90.93 -101.88 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.3 tp -90.28 140.98 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 55.29 17.74 2.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.413 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 44.1 mmtt -101.0 129.97 46.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.36 139.51 58.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.1 p -110.87 148.08 33.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.43 150.18 95.71 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.612 0.72 . . . . 0.0 110.904 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -25.91 28.2 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.248 . . . . 0.0 112.363 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.37 -31.23 15.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.81 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.692 ' C ' ' H ' ' A' ' 15' ' ' GLN . 10.4 m120 -85.9 -67.93 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 62.79 -19.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.692 ' H ' ' C ' ' A' ' 13' ' ' ASN . 10.4 mt-30 -72.05 93.29 1.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.4 148.55 36.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 t -50.03 149.52 2.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.0 mmtt -81.46 -0.11 40.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 72.4 m -60.27 -24.31 64.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.4 m -163.97 149.01 10.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.34 105.65 3.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.966 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.7 mt -143.5 149.68 37.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.7 m -130.45 149.71 33.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.138 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.9 p -145.94 17.43 1.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.76 -75.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 ptt-85 -96.27 -19.99 18.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.13 -165.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.4 p -59.8 165.11 3.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 74.0 mtt-85 -59.75 -19.86 52.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 43.7 p90 -102.61 142.97 32.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.5 m -59.93 129.87 43.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -137.94 150.26 46.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -69.95 150.12 47.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -66.27 173.71 3.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.93 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.3 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 179.957 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.874 0.369 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.1 p -139.98 153.62 46.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.422 ' HA ' ' CB ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -62.6 93.35 0.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -91.0 -102.01 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.1 tp -90.24 140.49 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.155 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 56.28 16.88 2.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.422 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 3.3 mmmt -100.98 130.1 46.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.858 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.92 141.13 58.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 27.7 p -113.13 145.38 41.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.37 148.48 95.56 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.657 0.741 . . . . 0.0 110.838 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -24.96 28.85 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.69 2.26 . . . . 0.0 112.353 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.27 -16.93 26.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.691 ' C ' ' H ' ' A' ' 15' ' ' GLN . 9.6 t-20 -102.45 -67.0 0.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.7 t70 62.86 -19.2 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.691 ' H ' ' C ' ' A' ' 13' ' ' ASN . 43.1 mt-30 -73.78 92.97 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.59 149.93 33.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.0 t -49.95 150.04 2.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 tpmp? -89.08 43.84 1.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.948 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.7 m -110.0 -2.25 17.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.41 150.05 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.836 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -69.91 84.57 0.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.916 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.9 mt -124.3 149.83 46.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.0 m -137.19 149.98 26.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.127 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.2 p -144.71 24.44 1.52 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.2 m -60.89 -76.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.06 -20.29 16.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -62.06 -164.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.5 p -59.75 164.21 3.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.169 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 65.7 mtt-85 -59.7 -19.86 52.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 43.1 p90 -102.81 143.48 32.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.968 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.5 m -59.96 128.64 37.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -134.9 150.24 50.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -69.89 150.05 47.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -90.21 127.46 36.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 pp . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.94 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.848 0.356 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.0 p -133.33 150.21 51.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.427 ' HA ' ' CB ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -62.0 93.73 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -91.08 -102.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.4 tp -90.28 140.18 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 56.15 17.28 2.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.427 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 25.4 mmmt -100.97 130.04 46.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.59 142.13 58.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.7 p -113.56 134.72 54.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 34.0 p30 -74.96 150.17 85.76 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.602 0.715 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -19.9 35.49 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.682 2.254 . . . . 0.0 112.346 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.3 t -69.37 -59.13 3.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.7 ' C ' ' H ' ' A' ' 15' ' ' GLN . 8.5 m120 -89.86 -52.87 4.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.85 -19.28 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.824 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.7 ' H ' ' C ' ' A' ' 13' ' ' ASN . 0.7 OUTLIER -71.66 102.88 2.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.903 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.0 149.59 31.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.9 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 t -50.31 146.78 4.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.815 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.4 tptt -80.96 -1.88 45.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.953 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.04 -22.73 64.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.6 m -161.55 147.8 14.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.26 104.07 3.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.8 mt -141.83 150.01 41.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.1 m -130.69 148.22 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.4 p -145.14 21.2 1.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 p -60.74 -75.16 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -98.93 -20.08 16.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.865 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.8 tptt -62.99 -165.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 p -59.87 165.91 2.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.154 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.2 mtm-85 -59.69 -19.85 52.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 48.4 p90 -103.69 144.11 31.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.94 130.17 45.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -132.9 150.09 52.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -69.87 150.01 47.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -71.92 152.03 42.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 41.1 mm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.92 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.922 0.391 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.2 p -148.83 153.6 38.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.418 ' HA ' ' CB ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -62.49 93.97 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -90.88 -101.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.2 tp -90.24 140.74 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.144 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 55.11 17.8 2.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.418 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 14.4 mmtp -101.02 130.13 46.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.76 144.34 52.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.085 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.2 p -117.81 131.79 56.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 37.4 p30 -70.36 150.24 95.8 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.642 0.734 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -25.51 28.46 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.708 2.272 . . . . 0.0 112.308 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.8 t -63.39 -65.24 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.7 ' C ' ' H ' ' A' ' 15' ' ' GLN . 3.8 m120 -84.3 -52.01 6.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.7 t70 62.89 -19.19 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.7 ' H ' ' C ' ' A' ' 13' ' ' ASN . 3.2 tp-100 -70.33 103.63 2.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.2 148.98 34.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.9 t -50.16 148.83 3.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.1 tptt -82.2 0.55 40.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.7 m -60.27 -24.38 64.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.9 m -162.59 149.74 13.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -70.02 101.13 1.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.3 mt -138.57 150.06 45.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 88.2 t -131.88 144.48 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.1 p -141.31 22.12 2.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.8 m -61.11 -75.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -98.34 -19.95 17.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -62.02 -167.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.77 168.43 1.74 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 50.3 mtm180 -59.6 -19.94 52.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 49.1 p90 -104.29 145.54 30.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.96 129.07 39.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.5 mtmm -122.67 150.06 43.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -69.91 150.06 47.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -68.15 144.06 55.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 41.7 pt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.079 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.927 0.394 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.9 p -176.06 150.67 0.99 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.409 ' HA ' ' CB ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -61.72 93.39 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -90.95 -101.85 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.2 tp -90.2 141.43 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.136 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 54.12 19.02 1.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.409 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 28.4 mmtm -100.93 130.02 46.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.1 139.32 58.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.053 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 20.9 p -110.16 141.11 43.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.31 150.16 95.87 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.597 0.713 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -22.35 32.25 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.649 2.233 . . . . 0.0 112.332 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.05 -31.94 16.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.696 ' C ' ' H ' ' A' ' 15' ' ' GLN . 14.6 t-20 -92.43 -67.22 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.5 t70 62.75 -19.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.696 ' H ' ' C ' ' A' ' 13' ' ' ASN . 6.3 mm-40 -72.19 92.96 1.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -59.95 149.7 31.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -50.18 149.98 2.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.5 -1.09 40.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.1 t -60.04 -23.66 63.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.42 149.91 19.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.1 73.24 2.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 mt -108.02 150.02 27.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.7 t -131.63 147.82 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.8 p -144.05 22.42 1.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.6 p -61.49 -75.56 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.812 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.45 -20.56 17.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -165.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.958 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 p -59.89 165.46 3.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 51.1 mtp85 -59.68 -19.87 52.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 44.5 p90 -102.76 144.11 31.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.97 128.7 38.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.856 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -130.85 150.11 52.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -69.89 150.06 47.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -77.21 130.99 37.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.203 179.891 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.925 0.393 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.6 p -158.22 152.09 23.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.406 ' HA ' ' CB ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -62.51 93.37 0.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -90.77 -101.99 0.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.1 tp -90.2 141.08 14.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.155 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 55.38 17.74 2.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.406 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 30.1 mmtt -101.04 130.05 46.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.51 141.19 58.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.09 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.1 p -114.54 142.94 45.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.68 149.57 95.32 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.627 0.727 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -22.12 32.66 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.689 2.259 . . . . 0.0 112.336 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.82 -30.84 17.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.695 ' C ' ' H ' ' A' ' 15' ' ' GLN . 7.3 m120 -91.86 -67.07 0.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 62.73 -19.23 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.695 ' H ' ' C ' ' A' ' 13' ' ' ASN . 51.5 tp60 -72.79 93.92 1.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.3 149.98 31.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 t -49.9 149.95 2.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.5 mmmt -77.37 -3.72 41.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 t -59.86 -20.39 56.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.825 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.28 147.63 10.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.27 67.1 2.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.1 mt -100.98 150.08 23.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.0 m -128.35 147.19 32.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.0 p -141.43 14.71 2.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.8 t -57.92 -75.56 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.8 mtt85 -94.38 -19.92 20.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.843 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -65.46 -168.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.86 169.3 1.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 64.4 mtm-85 -59.63 -19.89 52.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 48.2 p90 -104.24 143.92 32.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.0 130.74 48.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -131.24 150.01 52.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -70.14 150.02 46.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -85.83 95.84 9.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 9.0 tp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 179.938 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.93 0.395 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.7 p -51.68 149.28 4.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.411 ' HA ' ' CB ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -61.22 93.91 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -90.89 -101.9 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.1 tp -90.29 141.37 14.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 53.86 19.33 1.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.411 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 36.9 mmtt -101.03 130.13 46.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.62 138.97 58.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.09 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 18.3 p -108.84 126.4 53.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 51.0 p-10 -70.08 150.25 96.18 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.614 0.721 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -14.6 36.36 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.689 2.26 . . . . 0.0 112.334 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -56.07 9.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.701 ' C ' ' H ' ' A' ' 15' ' ' GLN . 24.2 t30 -102.59 -47.69 4.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.78 -19.2 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.701 ' H ' ' C ' ' A' ' 13' ' ' ASN . 89.5 mt-30 -70.27 104.14 2.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -59.92 149.1 32.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.828 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -50.15 147.37 4.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -80.97 -1.21 42.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 p -60.42 -25.09 65.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.823 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.5 m -158.47 150.04 21.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -73.05 100.8 3.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.9 mt -139.2 149.99 45.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.9 m -132.48 148.67 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 18.1 p -144.96 22.05 1.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.1 m -62.31 -75.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.7 mmm-85 -96.73 -19.95 18.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -165.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.6 p -59.78 165.12 3.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -59.67 -19.91 52.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 42.4 p90 -102.35 144.24 31.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.85 128.06 35.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.9 mtpp -129.01 150.15 50.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -69.89 150.03 47.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -70.89 124.68 24.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.8 mm . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 179.931 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.915 0.388 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.6 p -150.72 152.04 33.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.411 ' HA ' ' CB ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -62.24 93.6 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -90.92 -101.85 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.2 tp -90.23 141.05 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 55.17 17.79 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.411 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 28.8 mmtm -101.0 130.12 46.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.93 139.88 58.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.6 p -112.13 148.17 34.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.87 150.13 92.83 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.655 0.74 . . . . 0.0 110.852 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -28.64 25.23 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.72 2.28 . . . . 0.0 112.359 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.66 -31.42 18.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.816 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.692 ' C ' ' H ' ' A' ' 15' ' ' GLN . 4.8 m120 -87.3 -68.02 0.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 62.79 -19.2 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.692 ' H ' ' C ' ' A' ' 13' ' ' ASN . 67.8 tp60 -70.79 92.66 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.37 148.15 38.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -50.12 149.97 2.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -82.2 0.41 41.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.3 t -60.17 -24.5 64.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.857 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.1 m -163.29 149.98 12.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -70.97 102.44 2.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.0 mt -140.93 149.99 42.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.2 m -132.28 148.72 31.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 18.9 p -143.13 23.1 1.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.6 m -63.69 -75.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.801 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -96.68 -20.28 18.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.82 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.2 mttp -65.36 -167.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.4 p -59.76 166.72 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.6 mtm-85 -59.67 -19.89 52.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 43.6 p90 -102.16 143.55 31.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.5 m -59.93 129.31 41.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -134.44 150.16 50.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -69.89 150.1 47.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -65.4 141.65 58.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.9 pt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 179.938 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.92 0.39 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.7 p -149.61 149.48 30.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.408 ' HA ' ' CB ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -61.46 93.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 -90.85 -101.9 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.3 tp -90.26 141.54 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 53.94 19.3 1.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.408 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 26.6 mmtt -100.92 129.75 46.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.94 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.8 139.38 58.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.075 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.5 p -111.72 125.48 54.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -70.11 150.16 96.14 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.607 0.717 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -10.05 27.61 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.69 2.26 . . . . 0.0 112.365 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.56 -29.48 27.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.692 ' C ' ' H ' ' A' ' 15' ' ' GLN . 8.3 m-20 -114.2 -58.85 2.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.3 t70 62.76 -19.19 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.692 ' H ' ' C ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -77.12 100.06 5.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -59.93 150.0 30.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -50.12 149.15 2.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt -82.8 -3.34 56.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.08 -23.7 64.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.0 m -159.99 149.75 18.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.835 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -72.69 107.67 5.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.2 mt -145.28 149.78 35.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.878 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.5 m -132.13 148.64 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.4 p -145.12 21.3 1.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.83 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.04 -75.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -95.53 -19.99 19.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -66.76 -166.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.4 p -59.8 165.21 3.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.19 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 41.3 mtm180 -59.59 -19.89 52.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 42.1 p90 -102.15 143.51 31.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.6 m -59.93 129.07 39.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -136.81 150.12 48.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -69.82 150.07 47.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -62.02 147.44 47.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.7 mm . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 179.941 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.906 0.384 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.8 p -162.3 153.72 18.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.411 ' HA ' ' CB ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -62.9 93.51 0.06 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -90.97 -102.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.6 tp -90.2 140.87 15.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.187 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 55.5 17.67 2.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.411 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 46.3 mmtt -100.97 130.01 46.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.942 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.08 142.63 58.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.065 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.6 p -116.49 147.46 41.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.29 148.06 95.51 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.639 0.733 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -23.57 30.73 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.689 2.259 . . . . 0.0 112.356 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.9 t -90.71 -30.56 17.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.691 ' C ' ' H ' ' A' ' 15' ' ' GLN . 78.5 m-20 -90.99 -66.37 0.93 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.3 t70 62.78 -19.2 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.691 ' H ' ' C ' ' A' ' 13' ' ' ASN . 21.9 mm-40 -71.35 94.43 1.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.09 148.97 33.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.2 t -50.25 149.42 2.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.9 tptm -81.44 -3.2 52.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.34 -24.57 65.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.8 m -159.79 144.31 14.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.841 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -70.02 104.1 2.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.4 mt -142.83 150.04 39.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.9 t -129.39 145.45 35.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.8 p -141.47 16.47 2.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.1 m -59.8 -75.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -95.13 -20.04 19.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -65.06 -168.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.88 169.17 1.52 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.3 mtt180 -59.67 -19.87 52.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 48.1 p90 -104.68 144.2 32.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.95 132.36 53.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -134.57 150.14 50.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -69.98 150.01 47.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -57.67 136.76 56.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 51.9 mm . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.14 179.946 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.926 0.393 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.8 p -126.66 149.54 49.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.414 ' HA ' ' CB ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -61.45 93.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -90.92 -102.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.4 tp -90.26 141.09 14.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 54.5 18.94 2.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.414 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 15.4 mmtp -100.93 129.25 46.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.44 140.44 58.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 20.9 p -111.3 132.23 54.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 43.6 p-10 -74.34 150.23 87.18 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.679 0.752 . . . . 0.0 110.837 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -14.7 36.23 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.638 2.225 . . . . 0.0 112.353 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.3 t -76.5 -54.93 6.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.697 ' C ' ' H ' ' A' ' 15' ' ' GLN . 8.4 m-20 -93.77 -55.52 3.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.8 -19.18 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.697 ' H ' ' C ' ' A' ' 13' ' ' ASN . 1.8 pt20 -70.04 99.94 1.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.1 t -59.95 149.53 31.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -50.29 150.03 2.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -79.55 -1.33 37.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.6 t -59.96 -20.89 60.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.21 146.89 7.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.847 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.1 tptp -72.71 78.7 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 93.5 mt -112.49 150.03 31.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.8 m -132.29 150.07 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.077 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 24.6 p -143.66 15.23 1.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.0 m -56.98 -75.95 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -94.45 -20.16 19.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -67.16 -166.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.4 p -59.86 165.81 2.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.1 mtt180 -59.68 -19.86 52.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 43.6 p90 -102.47 144.13 31.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.971 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.6 m -59.9 129.49 42.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.68 150.15 47.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -69.85 150.06 47.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.957 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -100.5 95.48 6.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 9.2 tp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.966 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.907 0.384 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.5 p -141.13 153.95 45.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.403 ' HA ' ' CB ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -61.72 93.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -90.88 -102.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.1 tp -90.24 141.62 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 53.79 19.66 1.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.403 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 18.6 mmtp -100.97 129.76 46.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.84 139.45 58.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 24.4 p -111.21 147.2 35.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.04 150.2 96.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.58 0.705 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -24.76 29.33 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.338 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.49 -32.73 16.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.785 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.69 ' C ' ' H ' ' A' ' 15' ' ' GLN . 7.0 t-20 -90.68 -67.16 0.87 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.0 t70 62.87 -19.23 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.849 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.69 ' H ' ' C ' ' A' ' 13' ' ' ASN . 81.6 mm-40 -70.89 97.26 1.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -59.88 149.81 30.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.0 t -50.0 144.62 6.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.97 -6.93 54.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.916 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.0 m -59.94 -22.02 61.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.3 m -157.9 147.15 19.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -75.92 105.17 6.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.6 mt -144.78 150.0 36.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.949 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.2 t -127.27 146.07 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.1 p -143.31 18.8 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.3 p -64.65 -75.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -93.32 -20.16 20.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -67.41 -167.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 p -59.81 167.23 2.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 73.1 mtt-85 -59.59 -19.9 52.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 46.8 p90 -102.96 144.02 31.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.9 m -59.95 129.68 43.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -134.94 150.16 50.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.928 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -69.88 150.06 47.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -55.94 137.76 50.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.93 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.6 mm . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 179.959 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.847 0.356 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.1 p -143.79 154.45 43.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.415 ' HA ' ' CB ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -62.12 93.21 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -90.89 -101.9 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.1 tp -90.25 141.3 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 54.39 18.91 2.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.415 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 21.0 mmtp -101.02 129.56 46.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.89 139.95 58.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.0 p -108.97 132.95 53.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.2 p30 -69.98 150.25 96.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.627 0.727 . . . . 0.0 110.855 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -15.48 37.24 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.662 2.241 . . . . 0.0 112.4 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -75.04 -57.66 3.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.699 ' C ' ' H ' ' A' ' 15' ' ' GLN . 3.5 m-20 -93.38 -53.06 4.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.81 -19.13 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.699 ' H ' ' C ' ' A' ' 13' ' ' ASN . 0.9 OUTLIER -70.12 105.82 3.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.914 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.98 150.07 30.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 t -49.95 150.06 2.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.6 mmtt -88.74 43.27 1.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.03 -5.44 15.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.66 150.09 1.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -69.89 84.87 0.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.0 mt -122.78 149.05 44.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.9 t -134.09 147.76 30.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.0 p -144.41 21.23 1.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 p -66.51 -74.42 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.0 ptp85 -95.71 -20.02 19.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -66.38 -167.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.79 167.4 2.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.8 mtp85 -59.77 -19.9 53.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 49.4 p90 -103.91 144.05 32.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.4 m -59.96 130.48 46.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -129.46 150.13 50.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -69.84 150.04 47.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -51.16 142.99 11.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.1 mp . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.849 0.356 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.4 p -157.49 152.55 25.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.4 ' HA ' ' CB ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -62.38 92.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.957 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -90.9 -102.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.1 tp -90.26 142.48 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.103 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 52.78 20.34 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.945 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.4 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 15.7 mmtp -100.9 139.82 36.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.66 133.4 47.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.6 p -108.14 133.66 52.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.97 150.2 96.33 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -27.13 26.83 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.653 2.235 . . . . 0.0 112.368 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -64.2 0.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.7 ' C ' ' H ' ' A' ' 15' ' ' GLN . 3.7 m120 -79.86 -55.67 4.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 62.84 -19.14 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.7 ' H ' ' C ' ' A' ' 13' ' ' ASN . 22.0 mm100 -70.03 101.44 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.89 149.96 30.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -50.12 149.97 2.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -82.71 -1.17 50.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.06 -24.69 64.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.857 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -159.65 149.96 18.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.5 tttm -72.54 97.8 2.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -133.91 149.98 51.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.9 m -133.11 144.52 36.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.8 p -142.75 14.92 1.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.3 m -51.47 -75.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -99.91 -20.09 16.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.917 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.6 mmmm -61.49 -167.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.86 167.86 2.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.17 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.4 mtm-85 -59.61 -19.93 52.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 49.1 p90 -103.76 141.89 35.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.97 132.5 54.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -130.24 150.07 51.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -69.99 150.05 47.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.942 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -100.57 123.59 44.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.5 mm . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.908 0.385 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.5 p -165.24 150.48 9.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.411 ' HA ' ' CB ' ' A' ' 7' ' ' LYS . 0.6 OUTLIER -60.97 93.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -90.85 -102.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.3 tp -90.21 141.2 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.106 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 54.36 19.06 2.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.411 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 20.4 mmtp -100.96 128.2 47.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.79 141.98 58.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.7 p -113.21 142.31 45.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.07 150.09 96.2 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.597 0.713 . . . . 0.0 110.872 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -20.62 34.63 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.67 2.247 . . . . 0.0 112.342 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.17 -33.05 15.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.829 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.693 ' C ' ' H ' ' A' ' 15' ' ' GLN . 30.5 m120 -93.43 -67.62 0.85 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.76 -19.16 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.693 ' H ' ' C ' ' A' ' 13' ' ' ASN . 28.4 mt-30 -70.61 95.14 1.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.95 150.07 29.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -49.93 148.65 3.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -77.52 -5.81 51.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 p -60.36 -19.74 56.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.32 146.79 17.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -78.4 70.9 4.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 93.7 mt -106.3 150.01 26.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.924 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.7 m -127.02 148.48 31.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.5 p -144.63 17.06 1.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.6 m -61.97 -75.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 35.9 mtt85 -94.01 -19.96 20.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.01 -166.12 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 p -59.86 166.06 2.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.0 mtp85 -59.61 -19.93 52.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 48.1 p90 -103.65 144.32 31.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.9 m -59.9 130.36 46.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt -138.36 150.24 46.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -69.95 150.09 47.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -78.91 141.32 37.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 44.3 pt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.85 0.357 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.8 p -147.55 148.97 31.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.423 ' HA ' ' CB ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -62.24 92.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -91.07 -102.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.3 tp -90.35 140.64 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 56.3 17.24 2.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.423 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 25.3 mmmt -100.94 129.96 46.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.87 140.61 58.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.5 p -112.21 126.63 55.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.493 ' ND2' ' H ' ' A' ' 13' ' ' ASN . 5.8 p-10 -70.16 150.09 96.07 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.622 0.725 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -10.72 29.29 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.707 2.271 . . . . 0.0 112.349 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.72 -47.18 15.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.697 ' C ' ' H ' ' A' ' 15' ' ' GLN . 28.4 m120 -102.27 -56.32 2.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 62.69 -19.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.697 ' H ' ' C ' ' A' ' 13' ' ' ASN . 94.8 mt-30 -70.34 99.37 1.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.96 149.98 30.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.41 150.07 2.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -79.06 -2.3 39.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.4 t -60.03 -21.94 62.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.75 150.03 17.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.866 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.0 tttm -76.19 66.31 2.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.5 mt -99.14 150.07 22.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.3 m -132.59 147.46 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.0 p -141.17 18.43 2.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.2 t -57.02 -75.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -96.89 -20.41 18.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -168.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.8 169.2 1.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.173 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.0 mtt85 -59.6 -19.84 51.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 49.3 p90 -103.8 143.9 32.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.98 131.7 51.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -130.8 150.11 52.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -69.99 150.01 47.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -108.86 64.14 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.933 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 pp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.128 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.88 0.371 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.2 p -144.06 149.5 36.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.413 ' HA ' ' CB ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -61.24 93.73 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -90.96 -101.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.2 tp -90.21 141.2 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.173 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 54.19 19.1 2.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.413 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 38.9 mmtt -101.02 130.04 46.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.75 138.63 58.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.0 p -108.93 127.16 53.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -70.03 150.26 96.24 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.635 0.731 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -14.64 36.39 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.713 2.275 . . . . 0.0 112.343 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.4 t -73.3 -55.24 6.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.699 ' C ' ' H ' ' A' ' 15' ' ' GLN . 71.4 m-20 -97.1 -52.72 3.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.868 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.0 t70 62.8 -19.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.699 ' H ' ' C ' ' A' ' 13' ' ' ASN . 18.8 mm100 -70.56 101.41 2.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.93 149.97 30.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -50.11 150.03 2.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -78.97 -2.54 40.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.5 m -59.98 -21.1 60.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.24 149.88 16.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -76.69 64.56 2.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.0 mt -97.9 150.02 21.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.968 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.5 m -131.26 149.9 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.6 p -145.77 22.44 1.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.8 t -61.73 -75.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.819 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -96.83 -20.24 18.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -65.02 -165.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 p -59.88 164.89 3.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.18 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 47.5 mtt85 -59.69 -19.9 52.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 42.2 p90 -102.17 143.69 31.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.08 131.01 49.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -136.49 150.25 48.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -69.77 150.09 47.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -86.16 135.09 33.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.4 mp . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 179.952 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.876 0.37 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.0 p -165.07 151.78 10.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.418 ' HA ' ' CB ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -62.71 92.27 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -90.95 -101.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.3 tp -90.28 141.28 14.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 55.27 18.07 2.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.852 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.418 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 16.8 mmtm -100.96 129.93 46.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.52 138.37 58.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.094 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.3 p -110.03 141.7 42.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.14 150.14 96.1 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.622 0.725 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -22.31 32.2 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.707 2.271 . . . . 0.0 112.309 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.79 -32.08 16.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.693 ' C ' ' H ' ' A' ' 15' ' ' GLN . 48.3 m-20 -92.53 -67.91 0.83 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.891 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.1 t70 62.71 -19.22 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.693 ' H ' ' C ' ' A' ' 13' ' ' ASN . 15.4 mt-30 -69.88 92.36 0.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.893 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -59.96 148.99 33.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -51.04 149.93 3.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.37 1.03 43.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -60.41 -25.87 66.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.6 m -160.7 149.62 16.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.881 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -70.08 100.39 1.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.6 mt -138.24 149.98 46.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.919 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.2 m -132.66 150.04 32.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.187 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.6 p -144.36 15.29 1.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.6 t -55.95 -74.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 37.4 mtt180 -98.09 -19.95 17.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -63.5 -168.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.401 ' CG2' ' CZ2' ' A' ' 30' ' ' TRP . 0.7 OUTLIER -59.89 168.31 1.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 28.5 mtp180 -59.71 -19.98 53.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.401 ' CZ2' ' CG2' ' A' ' 28' ' ' THR . 46.7 p90 -104.02 142.2 34.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.4 m -59.94 135.24 57.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.83 149.95 42.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -73.18 150.03 42.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -93.95 141.32 28.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.4 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 179.955 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.922 0.391 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.7 p -145.14 154.13 42.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.416 ' HA ' ' CB ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -63.69 92.81 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -90.87 -101.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.2 tp -90.26 141.12 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.108 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 55.8 17.26 2.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.416 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 15.0 mmtp -100.97 130.03 46.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.99 137.52 57.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.1 p -106.0 132.44 52.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.5 p30 -78.77 150.29 75.4 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -12.34 32.72 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.733 2.289 . . . . 0.0 112.326 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.1 t -62.4 -52.34 63.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.703 ' C ' ' H ' ' A' ' 15' ' ' GLN . 1.1 p-10 -115.54 -39.36 3.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.81 -19.16 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.703 ' H ' ' C ' ' A' ' 13' ' ' ASN . 46.4 mt-30 -70.04 107.0 3.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.98 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.52 150.02 32.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -49.94 150.09 2.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.07 43.77 1.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.5 m -110.04 -2.55 16.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.37 150.11 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -69.92 83.99 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.9 mt -124.25 149.85 45.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.5 m -139.16 145.81 26.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.7 p -134.65 8.41 3.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.0 t -54.48 -75.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.53 -19.97 22.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -68.36 -173.13 0.38 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.79 173.19 0.61 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.157 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 67.9 mtm180 -59.47 -19.73 49.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 46.2 p90 -104.14 141.91 35.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.2 m -59.96 128.35 36.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -127.54 150.08 49.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -69.97 150.01 47.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -97.19 154.09 17.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 62.0 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 179.964 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.1 p . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.904 0.383 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.572 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -61.28 93.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -90.88 -102.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.519 ' HA ' HD13 ' A' ' 22' ' ' LEU . 1.2 tp -90.25 140.75 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 55.11 18.58 2.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.426 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 2.7 mmmt -101.01 128.85 46.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.413 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -62.35 143.64 56.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 25.5 p -117.92 128.6 54.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.626 0.727 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.868 0.366 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -59.96 148.85 33.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.849 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -50.32 150.01 2.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.92 -1.7 40.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.9 m -59.93 -21.71 61.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.61 149.52 13.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -75.29 81.03 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.519 HD13 ' HA ' ' A' ' 5' ' ' ILE . 93.5 mt -115.91 150.04 37.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.6 m -130.7 149.94 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.3 p -145.23 21.89 1.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.9 p -60.86 -75.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.71 -20.62 17.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.837 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -62.85 -165.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.739 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 1.2 p -59.83 165.65 3.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.2 mtm105 -59.66 -19.88 52.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.739 ' CZ2' HG21 ' A' ' 28' ' ' THR . 47.7 p90 -103.67 145.31 30.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.6 m -60.03 129.76 43.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.2 mtpp -131.6 150.11 52.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.4 ' HA ' HD23 ' A' ' 22' ' ' LEU . 4.2 p90 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.9 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.881 0.372 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.543 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -62.0 93.56 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.533 ' O ' HD13 ' A' ' 22' ' ' LEU . 40.1 mt-10 -90.93 -101.88 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.556 HD12 ' CD2' ' A' ' 22' ' ' LEU . 1.3 tp -90.28 140.98 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 55.29 17.74 2.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.42 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 44.1 mmtt -101.0 129.97 46.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.446 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -63.36 139.51 58.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.1 p -110.87 148.08 33.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.612 0.72 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.83 0.348 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.4 148.55 36.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 t -50.03 149.52 2.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.0 mmtt -81.46 -0.11 40.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 72.4 m -60.27 -24.31 64.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.4 m -163.97 149.01 10.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.34 105.65 3.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.966 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.556 ' CD2' HD12 ' A' ' 5' ' ' ILE . 11.7 mt -143.5 149.68 37.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.7 m -130.45 149.71 33.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.138 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.9 p -145.94 17.43 1.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.76 -75.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 ptt-85 -96.27 -19.99 18.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.13 -165.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.765 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 1.4 p -59.8 165.11 3.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 74.0 mtt-85 -59.75 -19.86 52.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.765 ' CZ2' HG21 ' A' ' 28' ' ' THR . 43.7 p90 -102.61 142.97 32.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.5 m -59.93 129.87 43.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -137.94 150.26 46.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.9 p90 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.942 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.1 p . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.883 0.373 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.547 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -62.6 93.35 0.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.456 ' O ' HD13 ' A' ' 22' ' ' LEU . 37.6 mt-10 -91.0 -102.01 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.529 HD12 ' CD2' ' A' ' 22' ' ' LEU . 1.1 tp -90.24 140.49 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.155 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 56.28 16.88 2.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.43 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 3.3 mmmt -100.98 130.1 46.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.858 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.438 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -63.92 141.13 58.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 27.7 p -113.13 145.38 41.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 121.657 0.741 . . . . 0.0 110.838 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.893 0.378 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.59 149.93 33.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.0 t -49.95 150.04 2.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 tpmp? -89.08 43.84 1.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.948 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.7 m -110.0 -2.25 17.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.41 150.05 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.836 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -69.91 84.57 0.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.916 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.529 ' CD2' HD12 ' A' ' 5' ' ' ILE . 15.9 mt -124.3 149.83 46.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.0 m -137.19 149.98 26.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.127 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.2 p -144.71 24.44 1.52 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.2 m -60.89 -76.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.06 -20.29 16.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -62.06 -164.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.754 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 1.5 p -59.75 164.21 3.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.169 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 65.7 mtt-85 -59.7 -19.86 52.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.754 ' CZ2' HG21 ' A' ' 28' ' ' THR . 43.1 p90 -102.81 143.48 32.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.968 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.5 m -59.96 128.64 37.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -134.9 150.24 50.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.0 p90 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 -179.962 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.0 p . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.836 0.35 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.543 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -62.0 93.73 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.561 ' O ' HD13 ' A' ' 22' ' ' LEU . 60.4 mt-10 -91.08 -102.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.585 HD12 ' CD2' ' A' ' 22' ' ' LEU . 1.4 tp -90.28 140.18 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 56.15 17.28 2.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.436 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 25.4 mmmt -100.97 130.04 46.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.472 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -62.59 142.13 58.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.7 p -113.56 134.72 54.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 34.0 p30 . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.602 0.715 . . . . 0.0 110.905 179.984 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.88 0.372 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.0 149.59 31.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.9 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 t -50.31 146.78 4.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.815 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.4 tptt -80.96 -1.88 45.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.953 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.04 -22.73 64.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.6 m -161.55 147.8 14.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.26 104.07 3.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.585 ' CD2' HD12 ' A' ' 5' ' ' ILE . 7.8 mt -141.83 150.01 41.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.1 m -130.69 148.22 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.4 p -145.14 21.2 1.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 p -60.74 -75.16 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -98.93 -20.08 16.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.865 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.8 tptt -62.99 -165.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.75 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 1.1 p -59.87 165.91 2.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.154 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.2 mtm-85 -59.69 -19.85 52.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.75 ' CZ2' HG21 ' A' ' 28' ' ' THR . 48.4 p90 -103.69 144.11 31.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.94 130.17 45.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -132.9 150.09 52.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.7 p90 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.2 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.877 0.37 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.554 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -62.49 93.97 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.613 ' O ' HD13 ' A' ' 22' ' ' LEU . 23.4 mt-10 -90.88 -101.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.598 HD12 ' CD2' ' A' ' 22' ' ' LEU . 1.2 tp -90.24 140.74 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.144 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 55.11 17.8 2.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.425 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 14.4 mmtp -101.02 130.13 46.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.507 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -60.76 144.34 52.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.085 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.2 p -117.81 131.79 56.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 37.4 p30 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.642 0.734 . . . . 0.0 110.88 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.782 0.325 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.2 148.98 34.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.9 t -50.16 148.83 3.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.1 tptt -82.2 0.55 40.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.7 m -60.27 -24.38 64.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.9 m -162.59 149.74 13.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -70.02 101.13 1.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.613 HD13 ' O ' ' A' ' 4' ' ' GLU . 5.3 mt -138.57 150.06 45.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 88.2 t -131.88 144.48 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.1 p -141.31 22.12 2.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.8 m -61.11 -75.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -98.34 -19.95 17.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -62.02 -167.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.755 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 0.8 OUTLIER -59.77 168.43 1.74 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 50.3 mtm180 -59.6 -19.94 52.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.755 ' CZ2' HG21 ' A' ' 28' ' ' THR . 49.1 p90 -104.29 145.54 30.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.96 129.07 39.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.5 mtmm -122.67 150.06 43.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.1 p90 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.948 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.9 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.892 0.377 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.576 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -61.72 93.39 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.617 ' O ' HD13 ' A' ' 22' ' ' LEU . 70.4 mt-10 -90.95 -101.85 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.656 HD12 ' CD2' ' A' ' 22' ' ' LEU . 1.2 tp -90.2 141.43 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.136 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 54.12 19.02 1.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.417 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 28.4 mmtm -100.93 130.02 46.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.416 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -64.1 139.32 58.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.053 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 20.9 p -110.16 141.11 43.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 121.597 0.713 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.828 0.347 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -59.95 149.7 31.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -50.18 149.98 2.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.5 -1.09 40.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.1 t -60.04 -23.66 63.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.42 149.91 19.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.1 73.24 2.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.656 ' CD2' HD12 ' A' ' 5' ' ' ILE . 2.9 mt -108.02 150.02 27.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.481 HG12 ' H ' ' A' ' 25' ' ' SER . 43.7 t -131.63 147.82 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.8 p -144.05 22.42 1.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.481 ' H ' HG12 ' A' ' 23' ' ' VAL . 2.6 p -61.49 -75.56 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.812 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.45 -20.56 17.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -165.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.958 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.761 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 1.2 p -59.89 165.46 3.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 51.1 mtp85 -59.68 -19.87 52.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.761 ' CZ2' HG21 ' A' ' 28' ' ' THR . 44.5 p90 -102.76 144.11 31.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.97 128.7 38.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.856 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -130.85 150.11 52.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.4 p90 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 -179.955 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.6 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.86 0.362 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.555 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -62.51 93.37 0.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -90.77 -101.99 0.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.534 ' HA ' HD13 ' A' ' 22' ' ' LEU . 1.1 tp -90.2 141.08 14.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.155 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 55.38 17.74 2.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.411 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 30.1 mmtt -101.04 130.05 46.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.429 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -63.51 141.19 58.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.09 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.1 p -114.54 142.94 45.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 121.627 0.727 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.885 0.374 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.3 149.98 31.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 t -49.9 149.95 2.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.5 mmmt -77.37 -3.72 41.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 t -59.86 -20.39 56.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.825 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.28 147.63 10.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.27 67.1 2.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.534 HD13 ' HA ' ' A' ' 5' ' ' ILE . 88.1 mt -100.98 150.08 23.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.0 m -128.35 147.19 32.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.0 p -141.43 14.71 2.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.8 t -57.92 -75.56 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.8 mtt85 -94.38 -19.92 20.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.843 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -65.46 -168.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.753 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 0.8 OUTLIER -59.86 169.3 1.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 64.4 mtm-85 -59.63 -19.89 52.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.753 ' CZ2' HG21 ' A' ' 28' ' ' THR . 48.2 p90 -104.24 143.92 32.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.0 130.74 48.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -131.24 150.01 52.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.2 p90 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 179.993 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.7 p . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.848 0.356 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.565 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -61.22 93.91 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.585 ' O ' HD13 ' A' ' 22' ' ' LEU . 27.7 mt-10 -90.89 -101.9 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.555 HD12 ' CD2' ' A' ' 22' ' ' LEU . 1.1 tp -90.29 141.37 14.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 53.86 19.33 1.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.418 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 36.9 mmtt -101.03 130.13 46.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.452 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -63.62 138.97 58.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.09 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 18.3 p -108.84 126.4 53.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 51.0 p-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.614 0.721 . . . . 0.0 110.883 -179.962 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.797 0.332 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -59.92 149.1 32.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.828 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -50.15 147.37 4.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -80.97 -1.21 42.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 p -60.42 -25.09 65.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.823 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.5 m -158.47 150.04 21.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -73.05 100.8 3.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.585 HD13 ' O ' ' A' ' 4' ' ' GLU . 5.9 mt -139.2 149.99 45.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.9 m -132.48 148.67 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 18.1 p -144.96 22.05 1.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.1 m -62.31 -75.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.7 mmm-85 -96.73 -19.95 18.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -165.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.768 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 1.6 p -59.78 165.12 3.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -59.67 -19.91 52.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.768 ' CZ2' HG21 ' A' ' 28' ' ' THR . 42.4 p90 -102.35 144.24 31.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.85 128.06 35.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.9 mtpp -129.01 150.15 50.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.2 p90 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.896 -179.948 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.6 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.889 0.376 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.544 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -62.24 93.6 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.531 ' O ' HD13 ' A' ' 22' ' ' LEU . 45.4 mt-10 -90.92 -101.85 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.582 HD12 ' CD2' ' A' ' 22' ' ' LEU . 1.2 tp -90.23 141.05 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 55.17 17.79 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.418 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 28.8 mmtm -101.0 130.12 46.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.447 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -62.93 139.88 58.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.6 p -112.13 148.17 34.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 121.655 0.74 . . . . 0.0 110.852 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.837 0.351 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.37 148.15 38.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -50.12 149.97 2.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -82.2 0.41 41.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.3 t -60.17 -24.5 64.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.857 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.1 m -163.29 149.98 12.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -70.97 102.44 2.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.582 ' CD2' HD12 ' A' ' 5' ' ' ILE . 9.0 mt -140.93 149.99 42.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.2 m -132.28 148.72 31.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 18.9 p -143.13 23.1 1.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.6 m -63.69 -75.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.801 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -96.68 -20.28 18.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.82 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.2 mttp -65.36 -167.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.776 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 1.4 p -59.76 166.72 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.6 mtm-85 -59.67 -19.89 52.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.776 ' CZ2' HG21 ' A' ' 28' ' ' THR . 43.6 p90 -102.16 143.55 31.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.5 m -59.93 129.31 41.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -134.44 150.16 50.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.1 p90 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.908 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.7 p . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.886 0.374 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -61.46 93.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.555 ' O ' HD13 ' A' ' 22' ' ' LEU . 80.5 mt-10 -90.85 -101.9 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.531 HD12 ' CD2' ' A' ' 22' ' ' LEU . 1.3 tp -90.26 141.54 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 53.94 19.3 1.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.416 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 26.6 mmtt -100.92 129.75 46.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.94 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.403 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -63.8 139.38 58.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.075 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.5 p -111.72 125.48 54.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.607 0.717 . . . . 0.0 110.928 179.98 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.882 0.372 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -59.93 150.0 30.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -50.12 149.15 2.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt -82.8 -3.34 56.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.08 -23.7 64.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.0 m -159.99 149.75 18.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.835 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -72.69 107.67 5.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.555 HD13 ' O ' ' A' ' 4' ' ' GLU . 14.2 mt -145.28 149.78 35.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.878 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.5 m -132.13 148.64 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.4 p -145.12 21.3 1.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.83 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.04 -75.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -95.53 -19.99 19.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -66.76 -166.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.773 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 1.4 p -59.8 165.21 3.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.19 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 41.3 mtm180 -59.59 -19.89 52.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.773 ' CZ2' HG21 ' A' ' 28' ' ' THR . 42.1 p90 -102.15 143.51 31.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.6 m -59.93 129.07 39.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -136.81 150.12 48.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.9 p90 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.935 -179.94 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.8 p . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.852 0.358 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.552 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -62.9 93.51 0.06 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.557 ' O ' HD13 ' A' ' 22' ' ' LEU . 74.0 mt-10 -90.97 -102.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.608 HD12 ' CD2' ' A' ' 22' ' ' LEU . 1.6 tp -90.2 140.87 15.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.187 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 55.5 17.67 2.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.419 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 46.3 mmtt -100.97 130.01 46.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.942 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.436 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -63.08 142.63 58.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.065 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.6 p -116.49 147.46 41.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.639 0.733 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.87 0.366 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.09 148.97 33.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.2 t -50.25 149.42 2.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.9 tptm -81.44 -3.2 52.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.34 -24.57 65.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.8 m -159.79 144.31 14.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.841 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -70.02 104.1 2.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.608 ' CD2' HD12 ' A' ' 5' ' ' ILE . 6.4 mt -142.83 150.04 39.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.43 HG12 ' H ' ' A' ' 25' ' ' SER . 21.9 t -129.39 145.45 35.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.8 p -141.47 16.47 2.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.43 ' H ' HG12 ' A' ' 23' ' ' VAL . 15.1 m -59.8 -75.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -95.13 -20.04 19.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -65.06 -168.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.748 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 0.8 OUTLIER -59.88 169.17 1.52 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.3 mtt180 -59.67 -19.87 52.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.748 ' CZ2' HG21 ' A' ' 28' ' ' THR . 48.1 p90 -104.68 144.2 32.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.95 132.36 53.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -134.57 150.14 50.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.2 p90 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.902 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.8 p . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.886 0.374 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.58 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -61.45 93.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -90.92 -102.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.508 ' HA ' HD13 ' A' ' 22' ' ' LEU . 1.4 tp -90.26 141.09 14.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 54.5 18.94 2.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.421 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 15.4 mmtp -100.93 129.25 46.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.42 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -62.44 140.44 58.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 20.9 p -111.3 132.23 54.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 43.6 p-10 . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 121.679 0.752 . . . . 0.0 110.837 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.8 0.334 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.1 t -59.95 149.53 31.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -50.29 150.03 2.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -79.55 -1.33 37.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.6 t -59.96 -20.89 60.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.21 146.89 7.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.847 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.1 tptp -72.71 78.7 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.508 HD13 ' HA ' ' A' ' 5' ' ' ILE . 93.5 mt -112.49 150.03 31.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.8 m -132.29 150.07 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.077 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 24.6 p -143.66 15.23 1.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.0 m -56.98 -75.95 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -94.45 -20.16 19.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -67.16 -166.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.769 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 1.4 p -59.86 165.81 2.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.1 mtt180 -59.68 -19.86 52.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.769 ' CZ2' HG21 ' A' ' 28' ' ' THR . 43.6 p90 -102.47 144.13 31.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.971 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.6 m -59.9 129.49 42.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.68 150.15 47.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.2 p90 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.957 -179.995 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.5 p . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.869 0.366 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.573 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -61.72 93.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.544 ' O ' HD13 ' A' ' 22' ' ' LEU . 3.4 mm-40 -90.88 -102.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.57 HD12 HD21 ' A' ' 22' ' ' LEU . 1.1 tp -90.24 141.62 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 53.79 19.66 1.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.41 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 18.6 mmtp -100.97 129.76 46.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.84 139.45 58.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 24.4 p -111.21 147.2 35.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 121.58 0.705 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.821 0.343 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -59.88 149.81 30.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.0 t -50.0 144.62 6.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.97 -6.93 54.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.916 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.0 m -59.94 -22.02 61.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.3 m -157.9 147.15 19.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -75.92 105.17 6.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.57 HD21 HD12 ' A' ' 5' ' ' ILE . 11.6 mt -144.78 150.0 36.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.949 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.424 HG12 ' H ' ' A' ' 25' ' ' SER . 32.2 t -127.27 146.07 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.1 p -143.31 18.8 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.424 ' H ' HG12 ' A' ' 23' ' ' VAL . 5.3 p -64.65 -75.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -93.32 -20.16 20.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -67.41 -167.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.766 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 1.1 p -59.81 167.23 2.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 73.1 mtt-85 -59.59 -19.9 52.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.766 ' CZ2' HG21 ' A' ' 28' ' ' THR . 46.8 p90 -102.96 144.02 31.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.9 m -59.95 129.68 43.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -134.94 150.16 50.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.928 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.2 p90 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.94 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.1 p . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.852 0.358 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.571 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -62.12 93.21 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.445 ' O ' HD13 ' A' ' 22' ' ' LEU . 19.4 mt-10 -90.89 -101.9 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.1 tp -90.25 141.3 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 54.39 18.91 2.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.421 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 21.0 mmtp -101.02 129.56 46.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.89 139.95 58.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.0 p -108.97 132.95 53.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.2 p30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.627 0.727 . . . . 0.0 110.855 -179.967 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.801 0.334 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.98 150.07 30.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 t -49.95 150.06 2.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.6 mmtt -88.74 43.27 1.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.03 -5.44 15.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.66 150.09 1.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -69.89 84.87 0.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.445 HD13 ' O ' ' A' ' 4' ' ' GLU . 58.0 mt -122.78 149.05 44.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.467 HG12 ' H ' ' A' ' 25' ' ' SER . 4.9 t -134.09 147.76 30.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.0 p -144.41 21.23 1.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.467 ' H ' HG12 ' A' ' 23' ' ' VAL . 2.2 p -66.51 -74.42 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.0 ptp85 -95.71 -20.02 19.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -66.38 -167.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.759 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 0.8 OUTLIER -59.79 167.4 2.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.8 mtp85 -59.77 -19.9 53.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.759 ' CZ2' HG21 ' A' ' 28' ' ' THR . 49.4 p90 -103.91 144.05 32.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.4 m -59.96 130.48 46.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -129.46 150.13 50.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.409 ' HA ' HD23 ' A' ' 22' ' ' LEU . 5.0 p90 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.4 p . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.864 0.364 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -62.38 92.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.957 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -90.9 -102.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.56 ' HA ' HD22 ' A' ' 22' ' ' LEU . 1.1 tp -90.26 142.48 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.103 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 52.78 20.34 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.945 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.405 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 15.7 mmtp -100.9 139.82 36.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.523 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -69.66 133.4 47.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.6 p -108.14 133.66 52.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.86 0.362 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.89 149.96 30.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -50.12 149.97 2.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -82.71 -1.17 50.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.06 -24.69 64.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.857 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.496 ' O ' HD12 ' A' ' 22' ' ' LEU . 0.7 OUTLIER -159.65 149.96 18.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.837 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.5 tttm -72.54 97.8 2.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.56 HD22 ' HA ' ' A' ' 5' ' ' ILE . 0.5 OUTLIER -133.91 149.98 51.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.9 m -133.11 144.52 36.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.8 p -142.75 14.92 1.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.3 m -51.47 -75.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -99.91 -20.09 16.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.917 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.6 mmmm -61.49 -167.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.765 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 0.9 OUTLIER -59.86 167.86 2.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.17 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.4 mtm-85 -59.61 -19.93 52.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.765 ' CZ2' HG21 ' A' ' 28' ' ' THR . 49.1 p90 -103.76 141.89 35.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.97 132.5 54.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -130.24 150.07 51.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.1 p90 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.942 -179.952 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.5 p . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.892 0.377 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.569 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.6 OUTLIER -60.97 93.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -90.85 -102.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.499 ' HA ' HD13 ' A' ' 22' ' ' LEU . 1.3 tp -90.21 141.2 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.106 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 54.36 19.06 2.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.418 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 20.4 mmtp -100.96 128.2 47.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.79 141.98 58.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.7 p -113.21 142.31 45.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.597 0.713 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.822 0.344 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.95 150.07 29.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -49.93 148.65 3.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -77.52 -5.81 51.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 p -60.36 -19.74 56.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.32 146.79 17.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -78.4 70.9 4.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.499 HD13 ' HA ' ' A' ' 5' ' ' ILE . 93.7 mt -106.3 150.01 26.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.924 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.7 m -127.02 148.48 31.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.5 p -144.63 17.06 1.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.6 m -61.97 -75.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 35.9 mtt85 -94.01 -19.96 20.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.01 -166.12 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.74 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 1.1 p -59.86 166.06 2.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.0 mtp85 -59.61 -19.93 52.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.74 ' CZ2' HG21 ' A' ' 28' ' ' THR . 48.1 p90 -103.65 144.32 31.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.9 m -59.9 130.36 46.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt -138.36 150.24 46.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.3 p90 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.8 p . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.804 0.335 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.588 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -62.24 92.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.506 ' O ' HD13 ' A' ' 22' ' ' LEU . 48.1 mt-10 -91.07 -102.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.623 HD12 ' CD2' ' A' ' 22' ' ' LEU . 1.3 tp -90.35 140.64 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 56.3 17.24 2.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.43 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 25.3 mmmt -100.94 129.96 46.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.41 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -63.87 140.61 58.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.5 p -112.21 126.63 55.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 121.622 0.725 . . . . 0.0 110.906 179.967 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.848 0.356 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.96 149.98 30.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.41 150.07 2.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -79.06 -2.3 39.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.4 t -60.03 -21.94 62.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.75 150.03 17.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.866 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.0 tttm -76.19 66.31 2.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.623 ' CD2' HD12 ' A' ' 5' ' ' ILE . 8.5 mt -99.14 150.07 22.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.446 HG23 ' HE3' ' A' ' 27' ' ' LYS . 6.3 m -132.59 147.46 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.0 p -141.17 18.43 2.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.2 t -57.02 -75.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -96.89 -20.41 18.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.446 ' HE3' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -62.72 -168.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.763 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 0.8 OUTLIER -59.8 169.2 1.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.173 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.0 mtt85 -59.6 -19.84 51.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.763 ' CZ2' HG21 ' A' ' 28' ' ' THR . 49.3 p90 -103.8 143.9 32.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.98 131.7 51.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -130.8 150.11 52.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.2 p90 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.898 -179.946 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.2 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.869 0.366 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.565 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -61.24 93.73 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.557 ' O ' HD13 ' A' ' 22' ' ' LEU . 48.1 mt-10 -90.96 -101.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.577 HD12 ' CD2' ' A' ' 22' ' ' LEU . 1.2 tp -90.21 141.2 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.173 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 54.19 19.1 2.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.422 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 38.9 mmtt -101.02 130.04 46.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.439 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -63.75 138.63 58.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.0 p -108.93 127.16 53.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 19.0 p30 . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.635 0.731 . . . . 0.0 110.888 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.8 mm100 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.835 0.35 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.93 149.97 30.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -50.11 150.03 2.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -78.97 -2.54 40.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.5 m -59.98 -21.1 60.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.24 149.88 16.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -76.69 64.56 2.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.577 ' CD2' HD12 ' A' ' 5' ' ' ILE . 8.0 mt -97.9 150.02 21.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.968 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.5 m -131.26 149.9 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.6 p -145.77 22.44 1.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.8 t -61.73 -75.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.819 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -96.83 -20.24 18.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -65.02 -165.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.774 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 1.3 p -59.88 164.89 3.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.18 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 47.5 mtt85 -59.69 -19.9 52.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.774 ' CZ2' HG21 ' A' ' 28' ' ' THR . 42.2 p90 -102.17 143.69 31.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.08 131.01 49.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -136.49 150.25 48.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.9 p90 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.971 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.0 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.834 0.35 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -62.71 92.27 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.525 ' O ' HD13 ' A' ' 22' ' ' LEU . 77.9 mt-10 -90.95 -101.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.606 HD12 ' CD2' ' A' ' 22' ' ' LEU . 1.3 tp -90.28 141.28 14.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 55.27 18.07 2.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.852 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.426 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 16.8 mmtm -100.96 129.93 46.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.52 138.37 58.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.094 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.3 p -110.03 141.7 42.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.622 0.725 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.866 0.365 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -59.96 148.99 33.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -51.04 149.93 3.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.37 1.03 43.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -60.41 -25.87 66.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.6 m -160.7 149.62 16.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.881 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -70.08 100.39 1.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.606 ' CD2' HD12 ' A' ' 5' ' ' ILE . 5.6 mt -138.24 149.98 46.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.919 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.435 HG23 ' CD ' ' A' ' 27' ' ' LYS . 7.2 m -132.66 150.04 32.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.187 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.6 p -144.36 15.29 1.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.6 t -55.95 -74.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 37.4 mtt180 -98.09 -19.95 17.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.435 ' CD ' HG23 ' A' ' 23' ' ' VAL . 21.3 mtpt -63.5 -168.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.77 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 0.7 OUTLIER -59.89 168.31 1.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 28.5 mtp180 -59.71 -19.98 53.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.77 ' CZ2' HG21 ' A' ' 28' ' ' THR . 46.7 p90 -104.02 142.2 34.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.4 m -59.94 135.24 57.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.83 149.95 42.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.2 p90 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.928 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.7 p . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.832 0.348 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.573 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -63.69 92.81 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -90.87 -101.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.465 HD12 HD22 ' A' ' 22' ' ' LEU . 1.2 tp -90.26 141.12 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.108 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 55.8 17.26 2.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.424 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 15.0 mmtp -100.97 130.03 46.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.99 137.52 57.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.1 p -106.0 132.44 52.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.5 p30 . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 0.0 110.904 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.838 0.351 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.52 150.02 32.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -49.94 150.09 2.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.07 43.77 1.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.5 m -110.04 -2.55 16.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.37 150.11 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -69.92 83.99 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.465 HD22 HD12 ' A' ' 5' ' ' ILE . 24.9 mt -124.25 149.85 45.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.5 m -139.16 145.81 26.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.7 p -134.65 8.41 3.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.0 t -54.48 -75.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.53 -19.97 22.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -68.36 -173.13 0.38 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.752 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 0.7 OUTLIER -59.79 173.19 0.61 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.157 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 67.9 mtm180 -59.47 -19.73 49.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.752 ' CZ2' HG21 ' A' ' 28' ' ' THR . 46.2 p90 -104.14 141.91 35.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.2 m -59.96 128.35 36.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -127.54 150.08 49.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.2 p90 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.918 0.39 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.1 p -153.77 148.43 26.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.572 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -61.28 93.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -90.88 -102.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.519 ' HA ' HD13 ' A' ' 22' ' ' LEU . 1.2 tp -90.25 140.75 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 55.11 18.58 2.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.426 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 2.7 mmmt -101.01 128.85 46.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.413 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -62.35 143.64 56.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 25.5 p -117.92 128.6 54.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.52 150.09 95.58 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.626 0.727 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -11.32 30.56 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.704 2.269 . . . . 0.0 112.358 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 t -86.66 -28.13 23.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.889 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.669 ' C ' ' H ' ' A' ' 15' ' ' GLN . 0.7 OUTLIER -112.52 -63.13 1.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 62.81 -19.27 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.856 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.669 ' H ' ' C ' ' A' ' 13' ' ' ASN . 33.7 mt-30 -71.32 95.68 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -59.96 148.85 33.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.849 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -50.32 150.01 2.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.92 -1.7 40.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.9 m -59.93 -21.71 61.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.61 149.52 13.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -75.29 81.03 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.519 HD13 ' HA ' ' A' ' 5' ' ' ILE . 93.5 mt -115.91 150.04 37.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.6 m -130.7 149.94 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.3 p -145.23 21.89 1.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.9 p -60.86 -75.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.71 -20.62 17.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.837 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -62.85 -165.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.739 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 1.2 p -59.83 165.65 3.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.2 mtm105 -59.66 -19.88 52.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.739 ' CZ2' HG21 ' A' ' 28' ' ' THR . 47.7 p90 -103.67 145.31 30.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.6 m -60.03 129.76 43.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.2 mtpp -131.6 150.11 52.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.683 ' CE1' HD11 ' A' ' 35' ' ' ILE . 4.2 p90 -69.84 150.06 47.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -87.01 129.28 34.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.683 HD11 ' CE1' ' A' ' 33' ' ' TYR . 50.8 mm . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.866 0.365 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.9 p -143.65 151.86 40.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.543 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -62.0 93.56 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.533 ' O ' HD13 ' A' ' 22' ' ' LEU . 40.1 mt-10 -90.93 -101.88 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.556 HD12 ' CD2' ' A' ' 22' ' ' LEU . 1.3 tp -90.28 140.98 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 55.29 17.74 2.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.42 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 44.1 mmtt -101.0 129.97 46.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.446 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -63.36 139.51 58.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.1 p -110.87 148.08 33.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.43 150.18 95.71 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.612 0.72 . . . . 0.0 110.904 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -25.91 28.2 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.248 . . . . 0.0 112.363 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.37 -31.23 15.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.81 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.661 ' C ' ' H ' ' A' ' 15' ' ' GLN . 10.4 m120 -85.9 -67.93 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 62.79 -19.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.661 ' H ' ' C ' ' A' ' 13' ' ' ASN . 10.4 mt-30 -72.05 93.29 1.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.4 148.55 36.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 t -50.03 149.52 2.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.0 mmtt -81.46 -0.11 40.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 72.4 m -60.27 -24.31 64.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.4 m -163.97 149.01 10.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.34 105.65 3.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.966 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.556 ' CD2' HD12 ' A' ' 5' ' ' ILE . 11.7 mt -143.5 149.68 37.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.7 m -130.45 149.71 33.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.138 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.9 p -145.94 17.43 1.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.76 -75.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 ptt-85 -96.27 -19.99 18.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.13 -165.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.765 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 1.4 p -59.8 165.11 3.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 74.0 mtt-85 -59.75 -19.86 52.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.765 ' CZ2' HG21 ' A' ' 28' ' ' THR . 43.7 p90 -102.61 142.97 32.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.5 m -59.93 129.87 43.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -137.94 150.26 46.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -69.95 150.12 47.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -66.27 173.71 3.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.93 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.3 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 179.957 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.874 0.369 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.1 p -139.98 153.62 46.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.547 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -62.6 93.35 0.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.456 ' O ' HD13 ' A' ' 22' ' ' LEU . 37.6 mt-10 -91.0 -102.01 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.529 HD12 ' CD2' ' A' ' 22' ' ' LEU . 1.1 tp -90.24 140.49 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.155 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 56.28 16.88 2.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.43 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 3.3 mmmt -100.98 130.1 46.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.858 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.438 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -63.92 141.13 58.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 27.7 p -113.13 145.38 41.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.37 148.48 95.56 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.657 0.741 . . . . 0.0 110.838 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -24.96 28.85 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.69 2.26 . . . . 0.0 112.353 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.27 -16.93 26.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.661 ' C ' ' H ' ' A' ' 15' ' ' GLN . 9.6 t-20 -102.45 -67.0 0.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.7 t70 62.86 -19.2 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.661 ' H ' ' C ' ' A' ' 13' ' ' ASN . 43.1 mt-30 -73.78 92.97 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.59 149.93 33.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.0 t -49.95 150.04 2.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 tpmp? -89.08 43.84 1.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.948 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.7 m -110.0 -2.25 17.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.41 150.05 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.836 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -69.91 84.57 0.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.916 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.529 ' CD2' HD12 ' A' ' 5' ' ' ILE . 15.9 mt -124.3 149.83 46.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.0 m -137.19 149.98 26.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.127 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.2 p -144.71 24.44 1.52 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.2 m -60.89 -76.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.06 -20.29 16.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -62.06 -164.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.754 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 1.5 p -59.75 164.21 3.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.169 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 65.7 mtt-85 -59.7 -19.86 52.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.754 ' CZ2' HG21 ' A' ' 28' ' ' THR . 43.1 p90 -102.81 143.48 32.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.968 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.5 m -59.96 128.64 37.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -134.9 150.24 50.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -69.89 150.05 47.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -90.21 127.46 36.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 pp . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.94 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.848 0.356 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.0 p -133.33 150.21 51.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.543 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -62.0 93.73 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.561 ' O ' HD13 ' A' ' 22' ' ' LEU . 60.4 mt-10 -91.08 -102.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.585 HD12 ' CD2' ' A' ' 22' ' ' LEU . 1.4 tp -90.28 140.18 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 56.15 17.28 2.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.436 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 25.4 mmmt -100.97 130.04 46.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.472 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -62.59 142.13 58.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.7 p -113.56 134.72 54.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 34.0 p30 -74.96 150.17 85.76 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.602 0.715 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -19.9 35.49 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.682 2.254 . . . . 0.0 112.346 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.3 t -69.37 -59.13 3.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.661 ' C ' ' H ' ' A' ' 15' ' ' GLN . 8.5 m120 -89.86 -52.87 4.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.85 -19.28 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.824 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.661 ' H ' ' C ' ' A' ' 13' ' ' ASN . 0.7 OUTLIER -71.66 102.88 2.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.903 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.0 149.59 31.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.9 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 t -50.31 146.78 4.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.815 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.4 tptt -80.96 -1.88 45.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.953 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.04 -22.73 64.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.6 m -161.55 147.8 14.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.26 104.07 3.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.585 ' CD2' HD12 ' A' ' 5' ' ' ILE . 7.8 mt -141.83 150.01 41.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.1 m -130.69 148.22 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.4 p -145.14 21.2 1.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 p -60.74 -75.16 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -98.93 -20.08 16.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.865 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.8 tptt -62.99 -165.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.75 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 1.1 p -59.87 165.91 2.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.154 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.2 mtm-85 -59.69 -19.85 52.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.75 ' CZ2' HG21 ' A' ' 28' ' ' THR . 48.4 p90 -103.69 144.11 31.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.94 130.17 45.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -132.9 150.09 52.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -69.87 150.01 47.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -71.92 152.03 42.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 41.1 mm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.92 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.922 0.391 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.2 p -148.83 153.6 38.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.554 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -62.49 93.97 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.613 ' O ' HD13 ' A' ' 22' ' ' LEU . 23.4 mt-10 -90.88 -101.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.598 HD12 ' CD2' ' A' ' 22' ' ' LEU . 1.2 tp -90.24 140.74 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.144 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 55.11 17.8 2.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.425 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 14.4 mmtp -101.02 130.13 46.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.507 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -60.76 144.34 52.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.085 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.2 p -117.81 131.79 56.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 37.4 p30 -70.36 150.24 95.8 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.642 0.734 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -25.51 28.46 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.708 2.272 . . . . 0.0 112.308 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.8 t -63.39 -65.24 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.662 ' C ' ' H ' ' A' ' 15' ' ' GLN . 3.8 m120 -84.3 -52.01 6.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.7 t70 62.89 -19.19 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.662 ' H ' ' C ' ' A' ' 13' ' ' ASN . 3.2 tp-100 -70.33 103.63 2.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.2 148.98 34.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.9 t -50.16 148.83 3.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.1 tptt -82.2 0.55 40.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.7 m -60.27 -24.38 64.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.9 m -162.59 149.74 13.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -70.02 101.13 1.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.613 HD13 ' O ' ' A' ' 4' ' ' GLU . 5.3 mt -138.57 150.06 45.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 88.2 t -131.88 144.48 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.1 p -141.31 22.12 2.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.8 m -61.11 -75.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -98.34 -19.95 17.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -62.02 -167.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.755 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 0.8 OUTLIER -59.77 168.43 1.74 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 50.3 mtm180 -59.6 -19.94 52.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.755 ' CZ2' HG21 ' A' ' 28' ' ' THR . 49.1 p90 -104.29 145.54 30.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.96 129.07 39.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.5 mtmm -122.67 150.06 43.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -69.91 150.06 47.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -68.15 144.06 55.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 41.7 pt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.079 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.927 0.394 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.9 p -176.06 150.67 0.99 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.576 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -61.72 93.39 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.617 ' O ' HD13 ' A' ' 22' ' ' LEU . 70.4 mt-10 -90.95 -101.85 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.656 HD12 ' CD2' ' A' ' 22' ' ' LEU . 1.2 tp -90.2 141.43 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.136 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 54.12 19.02 1.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.417 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 28.4 mmtm -100.93 130.02 46.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.416 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -64.1 139.32 58.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.053 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 20.9 p -110.16 141.11 43.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.31 150.16 95.87 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.597 0.713 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -22.35 32.25 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.649 2.233 . . . . 0.0 112.332 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.05 -31.94 16.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.655 ' C ' ' H ' ' A' ' 15' ' ' GLN . 14.6 t-20 -92.43 -67.22 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.5 t70 62.75 -19.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.655 ' H ' ' C ' ' A' ' 13' ' ' ASN . 6.3 mm-40 -72.19 92.96 1.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -59.95 149.7 31.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -50.18 149.98 2.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.5 -1.09 40.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.1 t -60.04 -23.66 63.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.42 149.91 19.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.1 73.24 2.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.656 ' CD2' HD12 ' A' ' 5' ' ' ILE . 2.9 mt -108.02 150.02 27.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.481 HG12 ' H ' ' A' ' 25' ' ' SER . 43.7 t -131.63 147.82 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.8 p -144.05 22.42 1.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.481 ' H ' HG12 ' A' ' 23' ' ' VAL . 2.6 p -61.49 -75.56 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.812 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.45 -20.56 17.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -165.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.958 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.761 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 1.2 p -59.89 165.46 3.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 51.1 mtp85 -59.68 -19.87 52.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.761 ' CZ2' HG21 ' A' ' 28' ' ' THR . 44.5 p90 -102.76 144.11 31.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.97 128.7 38.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.856 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -130.85 150.11 52.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -69.89 150.06 47.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -77.21 130.99 37.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.434 HD12 ' O ' ' A' ' 35' ' ' ILE . 1.2 pp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.203 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.925 0.393 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.6 p -158.22 152.09 23.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.555 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -62.51 93.37 0.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -90.77 -101.99 0.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.534 ' HA ' HD13 ' A' ' 22' ' ' LEU . 1.1 tp -90.2 141.08 14.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.155 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 55.38 17.74 2.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.411 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 30.1 mmtt -101.04 130.05 46.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.429 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -63.51 141.19 58.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.09 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.1 p -114.54 142.94 45.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.68 149.57 95.32 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.627 0.727 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -22.12 32.66 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.689 2.259 . . . . 0.0 112.336 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.82 -30.84 17.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.658 ' C ' ' H ' ' A' ' 15' ' ' GLN . 7.3 m120 -91.86 -67.07 0.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 62.73 -19.23 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.658 ' H ' ' C ' ' A' ' 13' ' ' ASN . 51.5 tp60 -72.79 93.92 1.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.3 149.98 31.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 t -49.9 149.95 2.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.5 mmmt -77.37 -3.72 41.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 t -59.86 -20.39 56.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.825 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.28 147.63 10.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.27 67.1 2.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.534 HD13 ' HA ' ' A' ' 5' ' ' ILE . 88.1 mt -100.98 150.08 23.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.0 m -128.35 147.19 32.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.0 p -141.43 14.71 2.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.8 t -57.92 -75.56 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.8 mtt85 -94.38 -19.92 20.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.843 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -65.46 -168.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.753 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 0.8 OUTLIER -59.86 169.3 1.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 64.4 mtm-85 -59.63 -19.89 52.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.753 ' CZ2' HG21 ' A' ' 28' ' ' THR . 48.2 p90 -104.24 143.92 32.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.0 130.74 48.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -131.24 150.01 52.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -70.14 150.02 46.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -85.83 95.84 9.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 9.0 tp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 179.938 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.93 0.395 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.7 p -51.68 149.28 4.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.565 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -61.22 93.91 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.585 ' O ' HD13 ' A' ' 22' ' ' LEU . 27.7 mt-10 -90.89 -101.9 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.555 HD12 ' CD2' ' A' ' 22' ' ' LEU . 1.1 tp -90.29 141.37 14.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 53.86 19.33 1.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.418 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 36.9 mmtt -101.03 130.13 46.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.452 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -63.62 138.97 58.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.09 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 18.3 p -108.84 126.4 53.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 51.0 p-10 -70.08 150.25 96.18 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.614 0.721 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -14.6 36.36 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.689 2.26 . . . . 0.0 112.334 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -56.07 9.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.662 ' C ' ' H ' ' A' ' 15' ' ' GLN . 24.2 t30 -102.59 -47.69 4.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.78 -19.2 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.662 ' H ' ' C ' ' A' ' 13' ' ' ASN . 89.5 mt-30 -70.27 104.14 2.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -59.92 149.1 32.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.828 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -50.15 147.37 4.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -80.97 -1.21 42.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 p -60.42 -25.09 65.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.823 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.5 m -158.47 150.04 21.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -73.05 100.8 3.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.585 HD13 ' O ' ' A' ' 4' ' ' GLU . 5.9 mt -139.2 149.99 45.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.9 m -132.48 148.67 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 18.1 p -144.96 22.05 1.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.1 m -62.31 -75.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.7 mmm-85 -96.73 -19.95 18.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -165.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.768 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 1.6 p -59.78 165.12 3.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -59.67 -19.91 52.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.768 ' CZ2' HG21 ' A' ' 28' ' ' THR . 42.4 p90 -102.35 144.24 31.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.85 128.06 35.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.9 mtpp -129.01 150.15 50.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -69.89 150.03 47.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -70.89 124.68 24.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.8 mm . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 179.931 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.915 0.388 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.6 p -150.72 152.04 33.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.544 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -62.24 93.6 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.531 ' O ' HD13 ' A' ' 22' ' ' LEU . 45.4 mt-10 -90.92 -101.85 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.582 HD12 ' CD2' ' A' ' 22' ' ' LEU . 1.2 tp -90.23 141.05 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 55.17 17.79 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.418 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 28.8 mmtm -101.0 130.12 46.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.447 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -62.93 139.88 58.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.6 p -112.13 148.17 34.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.87 150.13 92.83 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.655 0.74 . . . . 0.0 110.852 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -28.64 25.23 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.72 2.28 . . . . 0.0 112.359 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.66 -31.42 18.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.816 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.661 ' C ' ' H ' ' A' ' 15' ' ' GLN . 4.8 m120 -87.3 -68.02 0.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 62.79 -19.2 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.661 ' H ' ' C ' ' A' ' 13' ' ' ASN . 67.8 tp60 -70.79 92.66 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.37 148.15 38.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -50.12 149.97 2.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -82.2 0.41 41.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.3 t -60.17 -24.5 64.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.857 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.1 m -163.29 149.98 12.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -70.97 102.44 2.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.582 ' CD2' HD12 ' A' ' 5' ' ' ILE . 9.0 mt -140.93 149.99 42.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.2 m -132.28 148.72 31.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 18.9 p -143.13 23.1 1.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.6 m -63.69 -75.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.801 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -96.68 -20.28 18.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.82 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.2 mttp -65.36 -167.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.776 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 1.4 p -59.76 166.72 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.6 mtm-85 -59.67 -19.89 52.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.776 ' CZ2' HG21 ' A' ' 28' ' ' THR . 43.6 p90 -102.16 143.55 31.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.5 m -59.93 129.31 41.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -134.44 150.16 50.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -69.89 150.1 47.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -65.4 141.65 58.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.9 pt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 179.938 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.92 0.39 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.7 p -149.61 149.48 30.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -61.46 93.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.555 ' O ' HD13 ' A' ' 22' ' ' LEU . 80.5 mt-10 -90.85 -101.9 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.531 HD12 ' CD2' ' A' ' 22' ' ' LEU . 1.3 tp -90.26 141.54 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 53.94 19.3 1.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.416 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 26.6 mmtt -100.92 129.75 46.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.94 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.403 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -63.8 139.38 58.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.075 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.5 p -111.72 125.48 54.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -70.11 150.16 96.14 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.607 0.717 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -10.05 27.61 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.69 2.26 . . . . 0.0 112.365 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.56 -29.48 27.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.667 ' C ' ' H ' ' A' ' 15' ' ' GLN . 8.3 m-20 -114.2 -58.85 2.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.3 t70 62.76 -19.19 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.667 ' H ' ' C ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -77.12 100.06 5.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -59.93 150.0 30.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -50.12 149.15 2.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt -82.8 -3.34 56.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.08 -23.7 64.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.0 m -159.99 149.75 18.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.835 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -72.69 107.67 5.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.555 HD13 ' O ' ' A' ' 4' ' ' GLU . 14.2 mt -145.28 149.78 35.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.878 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.5 m -132.13 148.64 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.4 p -145.12 21.3 1.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.83 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.04 -75.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -95.53 -19.99 19.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -66.76 -166.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.773 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 1.4 p -59.8 165.21 3.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.19 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 41.3 mtm180 -59.59 -19.89 52.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.773 ' CZ2' HG21 ' A' ' 28' ' ' THR . 42.1 p90 -102.15 143.51 31.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.6 m -59.93 129.07 39.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -136.81 150.12 48.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -69.82 150.07 47.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -62.02 147.44 47.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.7 mm . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 179.941 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.906 0.384 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.8 p -162.3 153.72 18.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.552 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -62.9 93.51 0.06 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.557 ' O ' HD13 ' A' ' 22' ' ' LEU . 74.0 mt-10 -90.97 -102.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.608 HD12 ' CD2' ' A' ' 22' ' ' LEU . 1.6 tp -90.2 140.87 15.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.187 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 55.5 17.67 2.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.419 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 46.3 mmtt -100.97 130.01 46.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.942 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.436 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -63.08 142.63 58.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.065 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.6 p -116.49 147.46 41.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.29 148.06 95.51 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.639 0.733 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -23.57 30.73 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.689 2.259 . . . . 0.0 112.356 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.9 t -90.71 -30.56 17.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.661 ' C ' ' H ' ' A' ' 15' ' ' GLN . 78.5 m-20 -90.99 -66.37 0.93 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.3 t70 62.78 -19.2 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.661 ' H ' ' C ' ' A' ' 13' ' ' ASN . 21.9 mm-40 -71.35 94.43 1.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.09 148.97 33.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.2 t -50.25 149.42 2.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.9 tptm -81.44 -3.2 52.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.34 -24.57 65.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.8 m -159.79 144.31 14.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.841 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -70.02 104.1 2.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.608 ' CD2' HD12 ' A' ' 5' ' ' ILE . 6.4 mt -142.83 150.04 39.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.43 HG12 ' H ' ' A' ' 25' ' ' SER . 21.9 t -129.39 145.45 35.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.8 p -141.47 16.47 2.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.43 ' H ' HG12 ' A' ' 23' ' ' VAL . 15.1 m -59.8 -75.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -95.13 -20.04 19.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -65.06 -168.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.748 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 0.8 OUTLIER -59.88 169.17 1.52 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.3 mtt180 -59.67 -19.87 52.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.748 ' CZ2' HG21 ' A' ' 28' ' ' THR . 48.1 p90 -104.68 144.2 32.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.95 132.36 53.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -134.57 150.14 50.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -69.98 150.01 47.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -57.67 136.76 56.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 51.9 mm . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.14 179.946 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.926 0.393 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.8 p -126.66 149.54 49.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.58 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -61.45 93.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -90.92 -102.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.508 ' HA ' HD13 ' A' ' 22' ' ' LEU . 1.4 tp -90.26 141.09 14.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 54.5 18.94 2.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.421 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 15.4 mmtp -100.93 129.25 46.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.42 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -62.44 140.44 58.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 20.9 p -111.3 132.23 54.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 43.6 p-10 -74.34 150.23 87.18 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.679 0.752 . . . . 0.0 110.837 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -14.7 36.23 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.638 2.225 . . . . 0.0 112.353 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.3 t -76.5 -54.93 6.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.657 ' C ' ' H ' ' A' ' 15' ' ' GLN . 8.4 m-20 -93.77 -55.52 3.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.8 -19.18 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.657 ' H ' ' C ' ' A' ' 13' ' ' ASN . 1.8 pt20 -70.04 99.94 1.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.1 t -59.95 149.53 31.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -50.29 150.03 2.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -79.55 -1.33 37.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.6 t -59.96 -20.89 60.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.21 146.89 7.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.847 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.1 tptp -72.71 78.7 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.508 HD13 ' HA ' ' A' ' 5' ' ' ILE . 93.5 mt -112.49 150.03 31.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.8 m -132.29 150.07 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.077 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 24.6 p -143.66 15.23 1.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.0 m -56.98 -75.95 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -94.45 -20.16 19.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -67.16 -166.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.769 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 1.4 p -59.86 165.81 2.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.1 mtt180 -59.68 -19.86 52.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.769 ' CZ2' HG21 ' A' ' 28' ' ' THR . 43.6 p90 -102.47 144.13 31.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.971 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.6 m -59.9 129.49 42.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.68 150.15 47.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -69.85 150.06 47.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.957 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -100.5 95.48 6.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 9.2 tp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.966 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.907 0.384 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.5 p -141.13 153.95 45.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.573 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -61.72 93.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.544 ' O ' HD13 ' A' ' 22' ' ' LEU . 3.4 mm-40 -90.88 -102.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.57 HD12 HD21 ' A' ' 22' ' ' LEU . 1.1 tp -90.24 141.62 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 53.79 19.66 1.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.41 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 18.6 mmtp -100.97 129.76 46.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.84 139.45 58.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 24.4 p -111.21 147.2 35.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.04 150.2 96.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.58 0.705 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -24.76 29.33 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.338 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.49 -32.73 16.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.785 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.657 ' C ' ' H ' ' A' ' 15' ' ' GLN . 7.0 t-20 -90.68 -67.16 0.87 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.0 t70 62.87 -19.23 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.849 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.657 ' H ' ' C ' ' A' ' 13' ' ' ASN . 81.6 mm-40 -70.89 97.26 1.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -59.88 149.81 30.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.0 t -50.0 144.62 6.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.97 -6.93 54.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.916 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.0 m -59.94 -22.02 61.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.3 m -157.9 147.15 19.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -75.92 105.17 6.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.57 HD21 HD12 ' A' ' 5' ' ' ILE . 11.6 mt -144.78 150.0 36.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.949 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.424 HG12 ' H ' ' A' ' 25' ' ' SER . 32.2 t -127.27 146.07 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.1 p -143.31 18.8 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.424 ' H ' HG12 ' A' ' 23' ' ' VAL . 5.3 p -64.65 -75.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -93.32 -20.16 20.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -67.41 -167.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.766 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 1.1 p -59.81 167.23 2.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 73.1 mtt-85 -59.59 -19.9 52.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.766 ' CZ2' HG21 ' A' ' 28' ' ' THR . 46.8 p90 -102.96 144.02 31.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.9 m -59.95 129.68 43.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -134.94 150.16 50.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.928 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -69.88 150.06 47.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -55.94 137.76 50.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.93 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.6 mm . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 179.959 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.847 0.356 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.1 p -143.79 154.45 43.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.571 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -62.12 93.21 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.445 ' O ' HD13 ' A' ' 22' ' ' LEU . 19.4 mt-10 -90.89 -101.9 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.1 tp -90.25 141.3 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 54.39 18.91 2.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.421 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 21.0 mmtp -101.02 129.56 46.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.89 139.95 58.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.0 p -108.97 132.95 53.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.2 p30 -69.98 150.25 96.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.627 0.727 . . . . 0.0 110.855 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -15.48 37.24 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.662 2.241 . . . . 0.0 112.4 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -75.04 -57.66 3.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.659 ' C ' ' H ' ' A' ' 15' ' ' GLN . 1.5 m120 -93.38 -53.06 4.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.81 -19.13 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.659 ' H ' ' C ' ' A' ' 13' ' ' ASN . 0.9 OUTLIER -70.12 105.82 3.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.914 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.98 150.07 30.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 t -49.95 150.06 2.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.6 mmtt -88.74 43.27 1.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.03 -5.44 15.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.66 150.09 1.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -69.89 84.87 0.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.445 HD13 ' O ' ' A' ' 4' ' ' GLU . 58.0 mt -122.78 149.05 44.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.467 HG12 ' H ' ' A' ' 25' ' ' SER . 4.9 t -134.09 147.76 30.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.0 p -144.41 21.23 1.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.467 ' H ' HG12 ' A' ' 23' ' ' VAL . 2.2 p -66.51 -74.42 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.0 ptp85 -95.71 -20.02 19.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -66.38 -167.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.759 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 0.8 OUTLIER -59.79 167.4 2.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.8 mtp85 -59.77 -19.9 53.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.759 ' CZ2' HG21 ' A' ' 28' ' ' THR . 49.4 p90 -103.91 144.05 32.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.4 m -59.96 130.48 46.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -129.46 150.13 50.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.409 ' HA ' HD23 ' A' ' 22' ' ' LEU . 5.0 p90 -69.84 150.04 47.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -51.16 142.99 11.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.1 mp . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.849 0.356 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.4 p -157.49 152.55 25.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -62.38 92.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.957 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -90.9 -102.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.56 ' HA ' HD22 ' A' ' 22' ' ' LEU . 1.1 tp -90.26 142.48 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.103 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 52.78 20.34 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.945 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.405 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 15.7 mmtp -100.9 139.82 36.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.523 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -69.66 133.4 47.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.6 p -108.14 133.66 52.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.97 150.2 96.33 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -27.13 26.83 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.653 2.235 . . . . 0.0 112.368 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -64.2 0.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.658 ' C ' ' H ' ' A' ' 15' ' ' GLN . 3.7 m120 -79.86 -55.67 4.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 62.84 -19.14 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.658 ' H ' ' C ' ' A' ' 13' ' ' ASN . 22.0 mm100 -70.03 101.44 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.89 149.96 30.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -50.12 149.97 2.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -82.71 -1.17 50.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.06 -24.69 64.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.857 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.496 ' O ' HD12 ' A' ' 22' ' ' LEU . 0.7 OUTLIER -159.65 149.96 18.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.837 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.5 tttm -72.54 97.8 2.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.56 HD22 ' HA ' ' A' ' 5' ' ' ILE . 0.5 OUTLIER -133.91 149.98 51.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.9 m -133.11 144.52 36.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.8 p -142.75 14.92 1.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.3 m -51.47 -75.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -99.91 -20.09 16.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.917 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.6 mmmm -61.49 -167.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.765 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 0.9 OUTLIER -59.86 167.86 2.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.17 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.4 mtm-85 -59.61 -19.93 52.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.765 ' CZ2' HG21 ' A' ' 28' ' ' THR . 49.1 p90 -103.76 141.89 35.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.97 132.5 54.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -130.24 150.07 51.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -69.99 150.05 47.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.942 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -100.57 123.59 44.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.5 mm . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.908 0.385 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.5 p -165.24 150.48 9.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.569 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.6 OUTLIER -60.97 93.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -90.85 -102.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.499 ' HA ' HD13 ' A' ' 22' ' ' LEU . 1.3 tp -90.21 141.2 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.106 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 54.36 19.06 2.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.418 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 20.4 mmtp -100.96 128.2 47.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.79 141.98 58.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.7 p -113.21 142.31 45.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.07 150.09 96.2 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.597 0.713 . . . . 0.0 110.872 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -20.62 34.63 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.67 2.247 . . . . 0.0 112.342 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.17 -33.05 15.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.829 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.657 ' C ' ' H ' ' A' ' 15' ' ' GLN . 30.5 m120 -93.43 -67.62 0.85 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.76 -19.16 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.657 ' H ' ' C ' ' A' ' 13' ' ' ASN . 28.4 mt-30 -70.61 95.14 1.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.95 150.07 29.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -49.93 148.65 3.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -77.52 -5.81 51.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 p -60.36 -19.74 56.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.32 146.79 17.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -78.4 70.9 4.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.499 HD13 ' HA ' ' A' ' 5' ' ' ILE . 93.7 mt -106.3 150.01 26.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.924 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.7 m -127.02 148.48 31.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.5 p -144.63 17.06 1.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.6 m -61.97 -75.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 35.9 mtt85 -94.01 -19.96 20.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.01 -166.12 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.74 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 1.1 p -59.86 166.06 2.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.0 mtp85 -59.61 -19.93 52.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.74 ' CZ2' HG21 ' A' ' 28' ' ' THR . 48.1 p90 -103.65 144.32 31.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.9 m -59.9 130.36 46.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt -138.36 150.24 46.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -69.95 150.09 47.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -78.91 141.32 37.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 44.3 pt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.85 0.357 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.8 p -147.55 148.97 31.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.588 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -62.24 92.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.506 ' O ' HD13 ' A' ' 22' ' ' LEU . 48.1 mt-10 -91.07 -102.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.623 HD12 ' CD2' ' A' ' 22' ' ' LEU . 1.3 tp -90.35 140.64 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 56.3 17.24 2.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.43 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 25.3 mmmt -100.94 129.96 46.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.41 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -63.87 140.61 58.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.5 p -112.21 126.63 55.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.532 ' ND2' ' H ' ' A' ' 13' ' ' ASN . 5.8 p-10 -70.16 150.09 96.07 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.622 0.725 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -10.72 29.29 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.707 2.271 . . . . 0.0 112.349 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.72 -47.18 15.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.665 ' C ' ' H ' ' A' ' 15' ' ' GLN . 28.4 m120 -102.27 -56.32 2.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 62.69 -19.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.665 ' H ' ' C ' ' A' ' 13' ' ' ASN . 94.8 mt-30 -70.34 99.37 1.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.96 149.98 30.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.41 150.07 2.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -79.06 -2.3 39.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.4 t -60.03 -21.94 62.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.75 150.03 17.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.866 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.0 tttm -76.19 66.31 2.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.623 ' CD2' HD12 ' A' ' 5' ' ' ILE . 8.5 mt -99.14 150.07 22.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.446 HG23 ' HE3' ' A' ' 27' ' ' LYS . 6.3 m -132.59 147.46 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.0 p -141.17 18.43 2.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.2 t -57.02 -75.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -96.89 -20.41 18.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.446 ' HE3' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -62.72 -168.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.763 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 0.8 OUTLIER -59.8 169.2 1.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.173 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.0 mtt85 -59.6 -19.84 51.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.763 ' CZ2' HG21 ' A' ' 28' ' ' THR . 49.3 p90 -103.8 143.9 32.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.98 131.7 51.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -130.8 150.11 52.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -69.99 150.01 47.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -108.86 64.14 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.933 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 pp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.128 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.88 0.371 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.2 p -144.06 149.5 36.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.565 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -61.24 93.73 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.557 ' O ' HD13 ' A' ' 22' ' ' LEU . 48.1 mt-10 -90.96 -101.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.577 HD12 ' CD2' ' A' ' 22' ' ' LEU . 1.2 tp -90.21 141.2 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.173 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 54.19 19.1 2.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.422 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 38.9 mmtt -101.02 130.04 46.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.439 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -63.75 138.63 58.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.0 p -108.93 127.16 53.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -70.03 150.26 96.24 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.635 0.731 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -14.64 36.39 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.713 2.275 . . . . 0.0 112.343 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.4 t -73.3 -55.24 6.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.66 ' C ' ' H ' ' A' ' 15' ' ' GLN . 71.4 m-20 -97.1 -52.72 3.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.868 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.0 t70 62.8 -19.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.66 ' H ' ' C ' ' A' ' 13' ' ' ASN . 18.8 mm100 -70.56 101.41 2.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.93 149.97 30.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -50.11 150.03 2.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -78.97 -2.54 40.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.5 m -59.98 -21.1 60.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.24 149.88 16.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -76.69 64.56 2.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.577 ' CD2' HD12 ' A' ' 5' ' ' ILE . 8.0 mt -97.9 150.02 21.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.968 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.5 m -131.26 149.9 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.6 p -145.77 22.44 1.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.8 t -61.73 -75.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.819 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -96.83 -20.24 18.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -65.02 -165.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.774 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 1.3 p -59.88 164.89 3.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.18 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 47.5 mtt85 -59.69 -19.9 52.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.774 ' CZ2' HG21 ' A' ' 28' ' ' THR . 42.2 p90 -102.17 143.69 31.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.08 131.01 49.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -136.49 150.25 48.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -69.77 150.09 47.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -86.16 135.09 33.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.4 mp . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 179.952 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.876 0.37 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.0 p -165.07 151.78 10.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -62.71 92.27 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.525 ' O ' HD13 ' A' ' 22' ' ' LEU . 77.9 mt-10 -90.95 -101.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.606 HD12 ' CD2' ' A' ' 22' ' ' LEU . 1.3 tp -90.28 141.28 14.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 55.27 18.07 2.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.852 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.426 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 16.8 mmtm -100.96 129.93 46.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.52 138.37 58.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.094 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.3 p -110.03 141.7 42.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.14 150.14 96.1 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.622 0.725 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -22.31 32.2 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.707 2.271 . . . . 0.0 112.309 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.79 -32.08 16.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.659 ' C ' ' H ' ' A' ' 15' ' ' GLN . 48.3 m-20 -92.53 -67.91 0.83 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.891 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.1 t70 62.71 -19.22 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.659 ' H ' ' C ' ' A' ' 13' ' ' ASN . 15.4 mt-30 -69.88 92.36 0.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.893 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -59.96 148.99 33.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -51.04 149.93 3.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.37 1.03 43.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -60.41 -25.87 66.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.6 m -160.7 149.62 16.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.881 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -70.08 100.39 1.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.606 ' CD2' HD12 ' A' ' 5' ' ' ILE . 5.6 mt -138.24 149.98 46.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.919 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.435 HG23 ' CD ' ' A' ' 27' ' ' LYS . 7.2 m -132.66 150.04 32.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.187 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.6 p -144.36 15.29 1.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.6 t -55.95 -74.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 37.4 mtt180 -98.09 -19.95 17.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.435 ' CD ' HG23 ' A' ' 23' ' ' VAL . 21.3 mtpt -63.5 -168.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.77 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 0.7 OUTLIER -59.89 168.31 1.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 28.5 mtp180 -59.71 -19.98 53.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.77 ' CZ2' HG21 ' A' ' 28' ' ' THR . 46.7 p90 -104.02 142.2 34.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.4 m -59.94 135.24 57.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.83 149.95 42.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -73.18 150.03 42.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -93.95 141.32 28.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.4 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 179.955 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.922 0.391 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.7 p -145.14 154.13 42.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.573 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -63.69 92.81 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -90.87 -101.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.465 HD12 HD22 ' A' ' 22' ' ' LEU . 1.2 tp -90.26 141.12 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.108 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 55.8 17.26 2.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.424 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 15.0 mmtp -100.97 130.03 46.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.99 137.52 57.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.1 p -106.0 132.44 52.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.5 p30 -78.77 150.29 75.4 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -12.34 32.72 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.733 2.289 . . . . 0.0 112.326 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.1 t -62.4 -52.34 63.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.667 ' C ' ' H ' ' A' ' 15' ' ' GLN . 1.1 p-10 -115.54 -39.36 3.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.81 -19.16 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.667 ' H ' ' C ' ' A' ' 13' ' ' ASN . 46.4 mt-30 -70.04 107.0 3.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.98 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.52 150.02 32.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -49.94 150.09 2.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.07 43.77 1.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.5 m -110.04 -2.55 16.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.37 150.11 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -69.92 83.99 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.465 HD22 HD12 ' A' ' 5' ' ' ILE . 24.9 mt -124.25 149.85 45.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.5 m -139.16 145.81 26.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.7 p -134.65 8.41 3.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.0 t -54.48 -75.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.53 -19.97 22.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -68.36 -173.13 0.38 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.752 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 0.7 OUTLIER -59.79 173.19 0.61 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.157 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 67.9 mtm180 -59.47 -19.73 49.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.752 ' CZ2' HG21 ' A' ' 28' ' ' THR . 46.2 p90 -104.14 141.91 35.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.2 m -59.96 128.35 36.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -127.54 150.08 49.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -69.97 150.01 47.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -97.19 154.09 17.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 62.0 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 179.964 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.1 p . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.904 0.383 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.572 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -61.28 93.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -90.88 -102.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.519 ' HA ' HD13 ' A' ' 22' ' ' LEU . 1.2 tp -90.25 140.75 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 55.11 18.58 2.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.426 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 2.7 mmmt -101.01 128.85 46.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.413 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -62.35 143.64 56.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 25.5 p -117.92 128.6 54.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.626 0.727 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.868 0.366 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -59.96 148.85 33.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.849 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -50.32 150.01 2.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.92 -1.7 40.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.9 m -59.93 -21.71 61.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.61 149.52 13.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -75.29 81.03 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.519 HD13 ' HA ' ' A' ' 5' ' ' ILE . 93.5 mt -115.91 150.04 37.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.6 m -130.7 149.94 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.3 p -145.23 21.89 1.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.9 p -60.86 -75.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.71 -20.62 17.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.837 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -62.85 -165.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.739 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 1.2 p -59.83 165.65 3.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.2 mtm105 -59.66 -19.88 52.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.739 ' CZ2' HG21 ' A' ' 28' ' ' THR . 47.7 p90 -103.67 145.31 30.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.6 m -60.03 129.76 43.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.2 mtpp -131.6 150.11 52.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.4 ' HA ' HD23 ' A' ' 22' ' ' LEU . 4.2 p90 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.9 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.881 0.372 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.543 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -62.0 93.56 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.533 ' O ' HD13 ' A' ' 22' ' ' LEU . 40.1 mt-10 -90.93 -101.88 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.556 HD12 ' CD2' ' A' ' 22' ' ' LEU . 1.3 tp -90.28 140.98 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 55.29 17.74 2.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.42 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 44.1 mmtt -101.0 129.97 46.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.446 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -63.36 139.51 58.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.1 p -110.87 148.08 33.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.612 0.72 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.83 0.348 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.4 148.55 36.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 t -50.03 149.52 2.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.0 mmtt -81.46 -0.11 40.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 72.4 m -60.27 -24.31 64.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.4 m -163.97 149.01 10.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.34 105.65 3.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.966 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.556 ' CD2' HD12 ' A' ' 5' ' ' ILE . 11.7 mt -143.5 149.68 37.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.7 m -130.45 149.71 33.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.138 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.9 p -145.94 17.43 1.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.76 -75.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 ptt-85 -96.27 -19.99 18.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.13 -165.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.765 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 1.4 p -59.8 165.11 3.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 74.0 mtt-85 -59.75 -19.86 52.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.765 ' CZ2' HG21 ' A' ' 28' ' ' THR . 43.7 p90 -102.61 142.97 32.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.5 m -59.93 129.87 43.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -137.94 150.26 46.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.9 p90 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.942 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.1 p . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.883 0.373 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.547 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -62.6 93.35 0.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.456 ' O ' HD13 ' A' ' 22' ' ' LEU . 37.6 mt-10 -91.0 -102.01 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.529 HD12 ' CD2' ' A' ' 22' ' ' LEU . 1.1 tp -90.24 140.49 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.155 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 56.28 16.88 2.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.43 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 3.3 mmmt -100.98 130.1 46.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.858 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.438 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -63.92 141.13 58.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 27.7 p -113.13 145.38 41.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 121.657 0.741 . . . . 0.0 110.838 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.893 0.378 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.59 149.93 33.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.0 t -49.95 150.04 2.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 tpmp? -89.08 43.84 1.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.948 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.7 m -110.0 -2.25 17.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.41 150.05 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.836 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -69.91 84.57 0.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.916 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.529 ' CD2' HD12 ' A' ' 5' ' ' ILE . 15.9 mt -124.3 149.83 46.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.0 m -137.19 149.98 26.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.127 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.2 p -144.71 24.44 1.52 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.2 m -60.89 -76.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.06 -20.29 16.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -62.06 -164.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.754 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 1.5 p -59.75 164.21 3.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.169 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 65.7 mtt-85 -59.7 -19.86 52.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.754 ' CZ2' HG21 ' A' ' 28' ' ' THR . 43.1 p90 -102.81 143.48 32.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.968 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.5 m -59.96 128.64 37.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -134.9 150.24 50.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.0 p90 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 -179.962 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.0 p . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.836 0.35 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.543 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -62.0 93.73 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.561 ' O ' HD13 ' A' ' 22' ' ' LEU . 60.4 mt-10 -91.08 -102.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.585 HD12 ' CD2' ' A' ' 22' ' ' LEU . 1.4 tp -90.28 140.18 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 56.15 17.28 2.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.436 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 25.4 mmmt -100.97 130.04 46.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.472 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -62.59 142.13 58.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.7 p -113.56 134.72 54.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 34.0 p30 . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.602 0.715 . . . . 0.0 110.905 179.984 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.88 0.372 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.0 149.59 31.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.9 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 t -50.31 146.78 4.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.815 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.4 tptt -80.96 -1.88 45.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.953 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.04 -22.73 64.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.6 m -161.55 147.8 14.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.26 104.07 3.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.585 ' CD2' HD12 ' A' ' 5' ' ' ILE . 7.8 mt -141.83 150.01 41.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.1 m -130.69 148.22 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.4 p -145.14 21.2 1.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 p -60.74 -75.16 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -98.93 -20.08 16.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.865 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.8 tptt -62.99 -165.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.75 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 1.1 p -59.87 165.91 2.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.154 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.2 mtm-85 -59.69 -19.85 52.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.75 ' CZ2' HG21 ' A' ' 28' ' ' THR . 48.4 p90 -103.69 144.11 31.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.94 130.17 45.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -132.9 150.09 52.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.7 p90 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.2 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.877 0.37 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.554 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -62.49 93.97 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.613 ' O ' HD13 ' A' ' 22' ' ' LEU . 23.4 mt-10 -90.88 -101.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.598 HD12 ' CD2' ' A' ' 22' ' ' LEU . 1.2 tp -90.24 140.74 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.144 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 55.11 17.8 2.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.425 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 14.4 mmtp -101.02 130.13 46.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.507 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -60.76 144.34 52.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.085 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.2 p -117.81 131.79 56.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 37.4 p30 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.642 0.734 . . . . 0.0 110.88 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.782 0.325 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.2 148.98 34.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.9 t -50.16 148.83 3.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.1 tptt -82.2 0.55 40.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.7 m -60.27 -24.38 64.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.9 m -162.59 149.74 13.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -70.02 101.13 1.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.613 HD13 ' O ' ' A' ' 4' ' ' GLU . 5.3 mt -138.57 150.06 45.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 88.2 t -131.88 144.48 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.1 p -141.31 22.12 2.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.8 m -61.11 -75.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -98.34 -19.95 17.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -62.02 -167.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.755 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 0.8 OUTLIER -59.77 168.43 1.74 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 50.3 mtm180 -59.6 -19.94 52.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.755 ' CZ2' HG21 ' A' ' 28' ' ' THR . 49.1 p90 -104.29 145.54 30.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.96 129.07 39.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.5 mtmm -122.67 150.06 43.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.1 p90 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.948 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.9 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.892 0.377 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.576 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -61.72 93.39 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.617 ' O ' HD13 ' A' ' 22' ' ' LEU . 70.4 mt-10 -90.95 -101.85 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.656 HD12 ' CD2' ' A' ' 22' ' ' LEU . 1.2 tp -90.2 141.43 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.136 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 54.12 19.02 1.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.417 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 28.4 mmtm -100.93 130.02 46.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.416 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -64.1 139.32 58.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.053 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 20.9 p -110.16 141.11 43.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 121.597 0.713 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.828 0.347 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -59.95 149.7 31.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -50.18 149.98 2.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.5 -1.09 40.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.1 t -60.04 -23.66 63.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.42 149.91 19.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.1 73.24 2.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.656 ' CD2' HD12 ' A' ' 5' ' ' ILE . 2.9 mt -108.02 150.02 27.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.481 HG12 ' H ' ' A' ' 25' ' ' SER . 43.7 t -131.63 147.82 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.8 p -144.05 22.42 1.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.481 ' H ' HG12 ' A' ' 23' ' ' VAL . 2.6 p -61.49 -75.56 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.812 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.45 -20.56 17.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -165.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.958 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.761 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 1.2 p -59.89 165.46 3.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 51.1 mtp85 -59.68 -19.87 52.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.761 ' CZ2' HG21 ' A' ' 28' ' ' THR . 44.5 p90 -102.76 144.11 31.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.97 128.7 38.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.856 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -130.85 150.11 52.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.4 p90 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 -179.955 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.6 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.86 0.362 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.555 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -62.51 93.37 0.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -90.77 -101.99 0.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.534 ' HA ' HD13 ' A' ' 22' ' ' LEU . 1.1 tp -90.2 141.08 14.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.155 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 55.38 17.74 2.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.411 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 30.1 mmtt -101.04 130.05 46.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.429 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -63.51 141.19 58.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.09 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.1 p -114.54 142.94 45.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 121.627 0.727 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.885 0.374 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.3 149.98 31.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 t -49.9 149.95 2.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.5 mmmt -77.37 -3.72 41.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 t -59.86 -20.39 56.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.825 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.28 147.63 10.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.27 67.1 2.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.534 HD13 ' HA ' ' A' ' 5' ' ' ILE . 88.1 mt -100.98 150.08 23.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.0 m -128.35 147.19 32.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.0 p -141.43 14.71 2.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.8 t -57.92 -75.56 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.8 mtt85 -94.38 -19.92 20.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.843 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -65.46 -168.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.753 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 0.8 OUTLIER -59.86 169.3 1.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 64.4 mtm-85 -59.63 -19.89 52.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.753 ' CZ2' HG21 ' A' ' 28' ' ' THR . 48.2 p90 -104.24 143.92 32.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.0 130.74 48.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -131.24 150.01 52.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.2 p90 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 179.993 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.7 p . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.848 0.356 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.565 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -61.22 93.91 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.585 ' O ' HD13 ' A' ' 22' ' ' LEU . 27.7 mt-10 -90.89 -101.9 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.555 HD12 ' CD2' ' A' ' 22' ' ' LEU . 1.1 tp -90.29 141.37 14.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 53.86 19.33 1.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.418 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 36.9 mmtt -101.03 130.13 46.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.452 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -63.62 138.97 58.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.09 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 18.3 p -108.84 126.4 53.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 51.0 p-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.614 0.721 . . . . 0.0 110.883 -179.962 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.797 0.332 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -59.92 149.1 32.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.828 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -50.15 147.37 4.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -80.97 -1.21 42.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 p -60.42 -25.09 65.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.823 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.5 m -158.47 150.04 21.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -73.05 100.8 3.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.585 HD13 ' O ' ' A' ' 4' ' ' GLU . 5.9 mt -139.2 149.99 45.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.9 m -132.48 148.67 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 18.1 p -144.96 22.05 1.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.1 m -62.31 -75.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.7 mmm-85 -96.73 -19.95 18.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -165.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.768 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 1.6 p -59.78 165.12 3.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -59.67 -19.91 52.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.768 ' CZ2' HG21 ' A' ' 28' ' ' THR . 42.4 p90 -102.35 144.24 31.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.85 128.06 35.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.9 mtpp -129.01 150.15 50.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.2 p90 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.896 -179.948 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.6 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.889 0.376 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.544 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -62.24 93.6 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.531 ' O ' HD13 ' A' ' 22' ' ' LEU . 45.4 mt-10 -90.92 -101.85 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.582 HD12 ' CD2' ' A' ' 22' ' ' LEU . 1.2 tp -90.23 141.05 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 55.17 17.79 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.418 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 28.8 mmtm -101.0 130.12 46.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.447 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -62.93 139.88 58.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.6 p -112.13 148.17 34.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 121.655 0.74 . . . . 0.0 110.852 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.837 0.351 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.37 148.15 38.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -50.12 149.97 2.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -82.2 0.41 41.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.3 t -60.17 -24.5 64.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.857 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.1 m -163.29 149.98 12.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -70.97 102.44 2.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.582 ' CD2' HD12 ' A' ' 5' ' ' ILE . 9.0 mt -140.93 149.99 42.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.2 m -132.28 148.72 31.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 18.9 p -143.13 23.1 1.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.6 m -63.69 -75.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.801 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -96.68 -20.28 18.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.82 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.2 mttp -65.36 -167.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.776 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 1.4 p -59.76 166.72 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.6 mtm-85 -59.67 -19.89 52.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.776 ' CZ2' HG21 ' A' ' 28' ' ' THR . 43.6 p90 -102.16 143.55 31.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.5 m -59.93 129.31 41.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -134.44 150.16 50.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.1 p90 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.908 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.7 p . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.886 0.374 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -61.46 93.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.555 ' O ' HD13 ' A' ' 22' ' ' LEU . 80.5 mt-10 -90.85 -101.9 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.531 HD12 ' CD2' ' A' ' 22' ' ' LEU . 1.3 tp -90.26 141.54 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 53.94 19.3 1.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.416 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 26.6 mmtt -100.92 129.75 46.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.94 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.403 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -63.8 139.38 58.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.075 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.5 p -111.72 125.48 54.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.607 0.717 . . . . 0.0 110.928 179.98 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.882 0.372 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -59.93 150.0 30.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -50.12 149.15 2.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt -82.8 -3.34 56.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.08 -23.7 64.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.0 m -159.99 149.75 18.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.835 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -72.69 107.67 5.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.555 HD13 ' O ' ' A' ' 4' ' ' GLU . 14.2 mt -145.28 149.78 35.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.878 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.5 m -132.13 148.64 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.4 p -145.12 21.3 1.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.83 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.04 -75.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -95.53 -19.99 19.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -66.76 -166.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.773 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 1.4 p -59.8 165.21 3.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.19 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 41.3 mtm180 -59.59 -19.89 52.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.773 ' CZ2' HG21 ' A' ' 28' ' ' THR . 42.1 p90 -102.15 143.51 31.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.6 m -59.93 129.07 39.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -136.81 150.12 48.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.9 p90 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.935 -179.94 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.8 p . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.852 0.358 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.552 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -62.9 93.51 0.06 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.557 ' O ' HD13 ' A' ' 22' ' ' LEU . 74.0 mt-10 -90.97 -102.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.608 HD12 ' CD2' ' A' ' 22' ' ' LEU . 1.6 tp -90.2 140.87 15.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.187 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 55.5 17.67 2.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.419 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 46.3 mmtt -100.97 130.01 46.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.942 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.436 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -63.08 142.63 58.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.065 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.6 p -116.49 147.46 41.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.639 0.733 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.87 0.366 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.09 148.97 33.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.2 t -50.25 149.42 2.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.9 tptm -81.44 -3.2 52.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.34 -24.57 65.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.8 m -159.79 144.31 14.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.841 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -70.02 104.1 2.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.608 ' CD2' HD12 ' A' ' 5' ' ' ILE . 6.4 mt -142.83 150.04 39.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.43 HG12 ' H ' ' A' ' 25' ' ' SER . 21.9 t -129.39 145.45 35.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.8 p -141.47 16.47 2.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.43 ' H ' HG12 ' A' ' 23' ' ' VAL . 15.1 m -59.8 -75.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -95.13 -20.04 19.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -65.06 -168.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.748 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 0.8 OUTLIER -59.88 169.17 1.52 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.3 mtt180 -59.67 -19.87 52.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.748 ' CZ2' HG21 ' A' ' 28' ' ' THR . 48.1 p90 -104.68 144.2 32.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.95 132.36 53.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -134.57 150.14 50.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.2 p90 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.902 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.8 p . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.886 0.374 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.58 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -61.45 93.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -90.92 -102.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.508 ' HA ' HD13 ' A' ' 22' ' ' LEU . 1.4 tp -90.26 141.09 14.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 54.5 18.94 2.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.421 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 15.4 mmtp -100.93 129.25 46.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.42 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -62.44 140.44 58.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 20.9 p -111.3 132.23 54.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 43.6 p-10 . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 121.679 0.752 . . . . 0.0 110.837 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.8 0.334 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.1 t -59.95 149.53 31.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -50.29 150.03 2.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -79.55 -1.33 37.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.6 t -59.96 -20.89 60.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.21 146.89 7.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.847 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.1 tptp -72.71 78.7 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.508 HD13 ' HA ' ' A' ' 5' ' ' ILE . 93.5 mt -112.49 150.03 31.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.8 m -132.29 150.07 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.077 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 24.6 p -143.66 15.23 1.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.0 m -56.98 -75.95 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -94.45 -20.16 19.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -67.16 -166.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.769 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 1.4 p -59.86 165.81 2.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.1 mtt180 -59.68 -19.86 52.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.769 ' CZ2' HG21 ' A' ' 28' ' ' THR . 43.6 p90 -102.47 144.13 31.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.971 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.6 m -59.9 129.49 42.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.68 150.15 47.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.2 p90 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.957 -179.995 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.5 p . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.869 0.366 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.573 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -61.72 93.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.544 ' O ' HD13 ' A' ' 22' ' ' LEU . 3.4 mm-40 -90.88 -102.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.57 HD12 HD21 ' A' ' 22' ' ' LEU . 1.1 tp -90.24 141.62 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 53.79 19.66 1.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.41 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 18.6 mmtp -100.97 129.76 46.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.84 139.45 58.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 24.4 p -111.21 147.2 35.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 121.58 0.705 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.821 0.343 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -59.88 149.81 30.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.0 t -50.0 144.62 6.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.97 -6.93 54.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.916 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.0 m -59.94 -22.02 61.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.3 m -157.9 147.15 19.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -75.92 105.17 6.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.57 HD21 HD12 ' A' ' 5' ' ' ILE . 11.6 mt -144.78 150.0 36.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.949 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.424 HG12 ' H ' ' A' ' 25' ' ' SER . 32.2 t -127.27 146.07 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.1 p -143.31 18.8 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.424 ' H ' HG12 ' A' ' 23' ' ' VAL . 5.3 p -64.65 -75.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -93.32 -20.16 20.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -67.41 -167.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.766 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 1.1 p -59.81 167.23 2.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 73.1 mtt-85 -59.59 -19.9 52.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.766 ' CZ2' HG21 ' A' ' 28' ' ' THR . 46.8 p90 -102.96 144.02 31.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.9 m -59.95 129.68 43.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -134.94 150.16 50.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.928 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.2 p90 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.94 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.1 p . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.852 0.358 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.571 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -62.12 93.21 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.445 ' O ' HD13 ' A' ' 22' ' ' LEU . 19.4 mt-10 -90.89 -101.9 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.1 tp -90.25 141.3 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 54.39 18.91 2.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.421 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 21.0 mmtp -101.02 129.56 46.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.89 139.95 58.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.0 p -108.97 132.95 53.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.2 p30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.627 0.727 . . . . 0.0 110.855 -179.967 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.801 0.334 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.98 150.07 30.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 t -49.95 150.06 2.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.6 mmtt -88.74 43.27 1.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.03 -5.44 15.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.66 150.09 1.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -69.89 84.87 0.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.445 HD13 ' O ' ' A' ' 4' ' ' GLU . 58.0 mt -122.78 149.05 44.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.467 HG12 ' H ' ' A' ' 25' ' ' SER . 4.9 t -134.09 147.76 30.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.0 p -144.41 21.23 1.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.467 ' H ' HG12 ' A' ' 23' ' ' VAL . 2.2 p -66.51 -74.42 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.0 ptp85 -95.71 -20.02 19.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -66.38 -167.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.759 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 0.8 OUTLIER -59.79 167.4 2.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.8 mtp85 -59.77 -19.9 53.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.759 ' CZ2' HG21 ' A' ' 28' ' ' THR . 49.4 p90 -103.91 144.05 32.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.4 m -59.96 130.48 46.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -129.46 150.13 50.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.409 ' HA ' HD23 ' A' ' 22' ' ' LEU . 5.0 p90 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.4 p . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.864 0.364 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -62.38 92.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.957 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -90.9 -102.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.56 ' HA ' HD22 ' A' ' 22' ' ' LEU . 1.1 tp -90.26 142.48 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.103 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 52.78 20.34 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.945 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.405 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 15.7 mmtp -100.9 139.82 36.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.523 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -69.66 133.4 47.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.6 p -108.14 133.66 52.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.86 0.362 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.89 149.96 30.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -50.12 149.97 2.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -82.71 -1.17 50.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.06 -24.69 64.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.857 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.496 ' O ' HD12 ' A' ' 22' ' ' LEU . 0.7 OUTLIER -159.65 149.96 18.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.837 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.5 tttm -72.54 97.8 2.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.56 HD22 ' HA ' ' A' ' 5' ' ' ILE . 0.5 OUTLIER -133.91 149.98 51.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.9 m -133.11 144.52 36.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.8 p -142.75 14.92 1.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.3 m -51.47 -75.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -99.91 -20.09 16.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.917 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.6 mmmm -61.49 -167.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.765 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 0.9 OUTLIER -59.86 167.86 2.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.17 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.4 mtm-85 -59.61 -19.93 52.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.765 ' CZ2' HG21 ' A' ' 28' ' ' THR . 49.1 p90 -103.76 141.89 35.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.97 132.5 54.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -130.24 150.07 51.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.1 p90 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.942 -179.952 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.5 p . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.892 0.377 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.569 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.6 OUTLIER -60.97 93.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -90.85 -102.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.499 ' HA ' HD13 ' A' ' 22' ' ' LEU . 1.3 tp -90.21 141.2 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.106 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 54.36 19.06 2.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.418 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 20.4 mmtp -100.96 128.2 47.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.79 141.98 58.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.7 p -113.21 142.31 45.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.597 0.713 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.822 0.344 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.95 150.07 29.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -49.93 148.65 3.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -77.52 -5.81 51.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 p -60.36 -19.74 56.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.32 146.79 17.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -78.4 70.9 4.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.499 HD13 ' HA ' ' A' ' 5' ' ' ILE . 93.7 mt -106.3 150.01 26.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.924 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.7 m -127.02 148.48 31.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.5 p -144.63 17.06 1.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.6 m -61.97 -75.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 35.9 mtt85 -94.01 -19.96 20.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.01 -166.12 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.74 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 1.1 p -59.86 166.06 2.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.0 mtp85 -59.61 -19.93 52.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.74 ' CZ2' HG21 ' A' ' 28' ' ' THR . 48.1 p90 -103.65 144.32 31.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.9 m -59.9 130.36 46.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt -138.36 150.24 46.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.3 p90 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.8 p . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.804 0.335 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.588 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -62.24 92.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.506 ' O ' HD13 ' A' ' 22' ' ' LEU . 48.1 mt-10 -91.07 -102.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.623 HD12 ' CD2' ' A' ' 22' ' ' LEU . 1.3 tp -90.35 140.64 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 56.3 17.24 2.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.43 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 25.3 mmmt -100.94 129.96 46.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.41 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -63.87 140.61 58.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.5 p -112.21 126.63 55.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 121.622 0.725 . . . . 0.0 110.906 179.967 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.848 0.356 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.96 149.98 30.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.41 150.07 2.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -79.06 -2.3 39.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.4 t -60.03 -21.94 62.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.75 150.03 17.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.866 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.0 tttm -76.19 66.31 2.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.623 ' CD2' HD12 ' A' ' 5' ' ' ILE . 8.5 mt -99.14 150.07 22.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.446 HG23 ' HE3' ' A' ' 27' ' ' LYS . 6.3 m -132.59 147.46 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.0 p -141.17 18.43 2.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.2 t -57.02 -75.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -96.89 -20.41 18.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.446 ' HE3' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -62.72 -168.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.763 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 0.8 OUTLIER -59.8 169.2 1.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.173 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.0 mtt85 -59.6 -19.84 51.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.763 ' CZ2' HG21 ' A' ' 28' ' ' THR . 49.3 p90 -103.8 143.9 32.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.98 131.7 51.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -130.8 150.11 52.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.2 p90 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.898 -179.946 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.2 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.869 0.366 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.565 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -61.24 93.73 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.557 ' O ' HD13 ' A' ' 22' ' ' LEU . 48.1 mt-10 -90.96 -101.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.577 HD12 ' CD2' ' A' ' 22' ' ' LEU . 1.2 tp -90.21 141.2 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.173 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 54.19 19.1 2.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.422 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 38.9 mmtt -101.02 130.04 46.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.439 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -63.75 138.63 58.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.0 p -108.93 127.16 53.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 19.0 p30 . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.635 0.731 . . . . 0.0 110.888 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.8 mm100 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.835 0.35 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.93 149.97 30.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -50.11 150.03 2.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -78.97 -2.54 40.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.5 m -59.98 -21.1 60.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.24 149.88 16.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -76.69 64.56 2.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.577 ' CD2' HD12 ' A' ' 5' ' ' ILE . 8.0 mt -97.9 150.02 21.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.968 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.5 m -131.26 149.9 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.6 p -145.77 22.44 1.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.8 t -61.73 -75.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.819 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -96.83 -20.24 18.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -65.02 -165.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.774 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 1.3 p -59.88 164.89 3.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.18 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 47.5 mtt85 -59.69 -19.9 52.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.774 ' CZ2' HG21 ' A' ' 28' ' ' THR . 42.2 p90 -102.17 143.69 31.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.08 131.01 49.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -136.49 150.25 48.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.9 p90 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.971 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.0 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.834 0.35 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -62.71 92.27 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.525 ' O ' HD13 ' A' ' 22' ' ' LEU . 77.9 mt-10 -90.95 -101.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.606 HD12 ' CD2' ' A' ' 22' ' ' LEU . 1.3 tp -90.28 141.28 14.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 55.27 18.07 2.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.852 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.426 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 16.8 mmtm -100.96 129.93 46.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.52 138.37 58.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.094 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.3 p -110.03 141.7 42.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.622 0.725 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.866 0.365 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -59.96 148.99 33.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -51.04 149.93 3.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.37 1.03 43.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -60.41 -25.87 66.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.6 m -160.7 149.62 16.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.881 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -70.08 100.39 1.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.606 ' CD2' HD12 ' A' ' 5' ' ' ILE . 5.6 mt -138.24 149.98 46.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.919 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.435 HG23 ' CD ' ' A' ' 27' ' ' LYS . 7.2 m -132.66 150.04 32.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.187 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.6 p -144.36 15.29 1.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.6 t -55.95 -74.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 37.4 mtt180 -98.09 -19.95 17.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.435 ' CD ' HG23 ' A' ' 23' ' ' VAL . 21.3 mtpt -63.5 -168.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.77 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 0.7 OUTLIER -59.89 168.31 1.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 28.5 mtp180 -59.71 -19.98 53.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.77 ' CZ2' HG21 ' A' ' 28' ' ' THR . 46.7 p90 -104.02 142.2 34.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.4 m -59.94 135.24 57.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.83 149.95 42.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.2 p90 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.928 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.7 p . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.832 0.348 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.573 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -63.69 92.81 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -90.87 -101.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.465 HD12 HD22 ' A' ' 22' ' ' LEU . 1.2 tp -90.26 141.12 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.108 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 55.8 17.26 2.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.424 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 15.0 mmtp -100.97 130.03 46.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.99 137.52 57.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.1 p -106.0 132.44 52.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.5 p30 . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 0.0 110.904 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.838 0.351 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.52 150.02 32.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -49.94 150.09 2.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.07 43.77 1.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.5 m -110.04 -2.55 16.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.37 150.11 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -69.92 83.99 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.465 HD22 HD12 ' A' ' 5' ' ' ILE . 24.9 mt -124.25 149.85 45.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.5 m -139.16 145.81 26.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.7 p -134.65 8.41 3.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.0 t -54.48 -75.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.53 -19.97 22.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -68.36 -173.13 0.38 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.752 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 0.7 OUTLIER -59.79 173.19 0.61 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.157 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 67.9 mtm180 -59.47 -19.73 49.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.752 ' CZ2' HG21 ' A' ' 28' ' ' THR . 46.2 p90 -104.14 141.91 35.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.2 m -59.96 128.35 36.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -127.54 150.08 49.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.2 p90 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.918 0.39 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.1 p -153.77 148.43 26.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.572 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -61.28 93.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -90.88 -102.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.519 ' HA ' HD13 ' A' ' 22' ' ' LEU . 1.2 tp -90.25 140.75 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 55.11 18.58 2.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.426 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 2.7 mmmt -101.01 128.85 46.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.413 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -62.35 143.64 56.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 25.5 p -117.92 128.6 54.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.52 150.09 95.58 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.626 0.727 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -11.32 30.56 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.704 2.269 . . . . 0.0 112.358 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 t -86.66 -28.13 23.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.889 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.669 ' C ' ' H ' ' A' ' 15' ' ' GLN . 0.7 OUTLIER -112.52 -63.13 1.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 62.81 -19.27 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.856 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.669 ' H ' ' C ' ' A' ' 13' ' ' ASN . 33.7 mt-30 -71.32 95.68 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -59.96 148.85 33.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.849 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -50.32 150.01 2.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.92 -1.7 40.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.9 m -59.93 -21.71 61.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.61 149.52 13.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -75.29 81.03 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.519 HD13 ' HA ' ' A' ' 5' ' ' ILE . 93.5 mt -115.91 150.04 37.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.6 m -130.7 149.94 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.3 p -145.23 21.89 1.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.9 p -60.86 -75.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.71 -20.62 17.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.837 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -62.85 -165.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.739 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 1.2 p -59.83 165.65 3.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.2 mtm105 -59.66 -19.88 52.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.739 ' CZ2' HG21 ' A' ' 28' ' ' THR . 47.7 p90 -103.67 145.31 30.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.6 m -60.03 129.76 43.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.2 mtpp -131.6 150.11 52.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.683 ' CE1' HD11 ' A' ' 35' ' ' ILE . 4.2 p90 -69.84 150.06 47.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -87.01 129.28 34.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.683 HD11 ' CE1' ' A' ' 33' ' ' TYR . 50.8 mm . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.866 0.365 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.9 p -143.65 151.86 40.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.543 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -62.0 93.56 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.533 ' O ' HD13 ' A' ' 22' ' ' LEU . 40.1 mt-10 -90.93 -101.88 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.556 HD12 ' CD2' ' A' ' 22' ' ' LEU . 1.3 tp -90.28 140.98 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 55.29 17.74 2.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.42 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 44.1 mmtt -101.0 129.97 46.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.446 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -63.36 139.51 58.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.1 p -110.87 148.08 33.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.43 150.18 95.71 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.612 0.72 . . . . 0.0 110.904 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -25.91 28.2 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.248 . . . . 0.0 112.363 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.37 -31.23 15.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.81 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.661 ' C ' ' H ' ' A' ' 15' ' ' GLN . 10.4 m120 -85.9 -67.93 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 62.79 -19.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.661 ' H ' ' C ' ' A' ' 13' ' ' ASN . 10.4 mt-30 -72.05 93.29 1.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.4 148.55 36.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 t -50.03 149.52 2.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.0 mmtt -81.46 -0.11 40.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 72.4 m -60.27 -24.31 64.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.4 m -163.97 149.01 10.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.34 105.65 3.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.966 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.556 ' CD2' HD12 ' A' ' 5' ' ' ILE . 11.7 mt -143.5 149.68 37.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.7 m -130.45 149.71 33.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.138 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.9 p -145.94 17.43 1.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.76 -75.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 ptt-85 -96.27 -19.99 18.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.13 -165.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.765 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 1.4 p -59.8 165.11 3.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 74.0 mtt-85 -59.75 -19.86 52.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.765 ' CZ2' HG21 ' A' ' 28' ' ' THR . 43.7 p90 -102.61 142.97 32.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.5 m -59.93 129.87 43.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -137.94 150.26 46.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -69.95 150.12 47.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -66.27 173.71 3.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.93 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.3 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 179.957 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.874 0.369 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.1 p -139.98 153.62 46.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.547 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -62.6 93.35 0.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.456 ' O ' HD13 ' A' ' 22' ' ' LEU . 37.6 mt-10 -91.0 -102.01 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.529 HD12 ' CD2' ' A' ' 22' ' ' LEU . 1.1 tp -90.24 140.49 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.155 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 56.28 16.88 2.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.43 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 3.3 mmmt -100.98 130.1 46.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.858 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.438 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -63.92 141.13 58.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 27.7 p -113.13 145.38 41.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.37 148.48 95.56 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.657 0.741 . . . . 0.0 110.838 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -24.96 28.85 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.69 2.26 . . . . 0.0 112.353 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.27 -16.93 26.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.661 ' C ' ' H ' ' A' ' 15' ' ' GLN . 9.6 t-20 -102.45 -67.0 0.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.7 t70 62.86 -19.2 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.661 ' H ' ' C ' ' A' ' 13' ' ' ASN . 43.1 mt-30 -73.78 92.97 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.59 149.93 33.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.0 t -49.95 150.04 2.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 tpmp? -89.08 43.84 1.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.948 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.7 m -110.0 -2.25 17.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.41 150.05 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.836 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -69.91 84.57 0.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.916 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.529 ' CD2' HD12 ' A' ' 5' ' ' ILE . 15.9 mt -124.3 149.83 46.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.0 m -137.19 149.98 26.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.127 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.2 p -144.71 24.44 1.52 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.2 m -60.89 -76.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.06 -20.29 16.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -62.06 -164.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.754 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 1.5 p -59.75 164.21 3.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.169 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 65.7 mtt-85 -59.7 -19.86 52.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.754 ' CZ2' HG21 ' A' ' 28' ' ' THR . 43.1 p90 -102.81 143.48 32.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.968 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.5 m -59.96 128.64 37.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -134.9 150.24 50.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -69.89 150.05 47.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -90.21 127.46 36.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 pp . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.94 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.848 0.356 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.0 p -133.33 150.21 51.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.543 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -62.0 93.73 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.561 ' O ' HD13 ' A' ' 22' ' ' LEU . 60.4 mt-10 -91.08 -102.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.585 HD12 ' CD2' ' A' ' 22' ' ' LEU . 1.4 tp -90.28 140.18 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 56.15 17.28 2.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.436 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 25.4 mmmt -100.97 130.04 46.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.472 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -62.59 142.13 58.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.7 p -113.56 134.72 54.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 34.0 p30 -74.96 150.17 85.76 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.602 0.715 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -19.9 35.49 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.682 2.254 . . . . 0.0 112.346 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.3 t -69.37 -59.13 3.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.661 ' C ' ' H ' ' A' ' 15' ' ' GLN . 8.5 m120 -89.86 -52.87 4.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.85 -19.28 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.824 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.661 ' H ' ' C ' ' A' ' 13' ' ' ASN . 0.7 OUTLIER -71.66 102.88 2.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.903 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.0 149.59 31.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.9 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 t -50.31 146.78 4.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.815 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.4 tptt -80.96 -1.88 45.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.953 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.04 -22.73 64.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.6 m -161.55 147.8 14.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.26 104.07 3.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.585 ' CD2' HD12 ' A' ' 5' ' ' ILE . 7.8 mt -141.83 150.01 41.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.1 m -130.69 148.22 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.4 p -145.14 21.2 1.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 p -60.74 -75.16 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -98.93 -20.08 16.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.865 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.8 tptt -62.99 -165.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.75 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 1.1 p -59.87 165.91 2.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.154 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.2 mtm-85 -59.69 -19.85 52.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.75 ' CZ2' HG21 ' A' ' 28' ' ' THR . 48.4 p90 -103.69 144.11 31.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.94 130.17 45.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -132.9 150.09 52.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -69.87 150.01 47.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -71.92 152.03 42.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 41.1 mm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.92 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.922 0.391 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.2 p -148.83 153.6 38.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.554 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -62.49 93.97 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.613 ' O ' HD13 ' A' ' 22' ' ' LEU . 23.4 mt-10 -90.88 -101.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.598 HD12 ' CD2' ' A' ' 22' ' ' LEU . 1.2 tp -90.24 140.74 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.144 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 55.11 17.8 2.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.425 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 14.4 mmtp -101.02 130.13 46.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.507 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -60.76 144.34 52.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.085 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.2 p -117.81 131.79 56.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 37.4 p30 -70.36 150.24 95.8 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.642 0.734 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -25.51 28.46 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.708 2.272 . . . . 0.0 112.308 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.8 t -63.39 -65.24 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.662 ' C ' ' H ' ' A' ' 15' ' ' GLN . 3.8 m120 -84.3 -52.01 6.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.7 t70 62.89 -19.19 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.662 ' H ' ' C ' ' A' ' 13' ' ' ASN . 3.2 tp-100 -70.33 103.63 2.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.2 148.98 34.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.9 t -50.16 148.83 3.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.1 tptt -82.2 0.55 40.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.7 m -60.27 -24.38 64.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.9 m -162.59 149.74 13.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -70.02 101.13 1.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.613 HD13 ' O ' ' A' ' 4' ' ' GLU . 5.3 mt -138.57 150.06 45.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 88.2 t -131.88 144.48 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.1 p -141.31 22.12 2.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.8 m -61.11 -75.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -98.34 -19.95 17.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -62.02 -167.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.755 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 0.8 OUTLIER -59.77 168.43 1.74 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 50.3 mtm180 -59.6 -19.94 52.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.755 ' CZ2' HG21 ' A' ' 28' ' ' THR . 49.1 p90 -104.29 145.54 30.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.96 129.07 39.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.5 mtmm -122.67 150.06 43.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -69.91 150.06 47.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -68.15 144.06 55.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 41.7 pt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.079 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.927 0.394 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.9 p -176.06 150.67 0.99 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.576 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -61.72 93.39 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.617 ' O ' HD13 ' A' ' 22' ' ' LEU . 70.4 mt-10 -90.95 -101.85 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.656 HD12 ' CD2' ' A' ' 22' ' ' LEU . 1.2 tp -90.2 141.43 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.136 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 54.12 19.02 1.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.417 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 28.4 mmtm -100.93 130.02 46.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.416 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -64.1 139.32 58.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.053 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 20.9 p -110.16 141.11 43.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.31 150.16 95.87 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.597 0.713 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -22.35 32.25 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.649 2.233 . . . . 0.0 112.332 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.05 -31.94 16.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.655 ' C ' ' H ' ' A' ' 15' ' ' GLN . 14.6 t-20 -92.43 -67.22 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.5 t70 62.75 -19.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.655 ' H ' ' C ' ' A' ' 13' ' ' ASN . 6.3 mm-40 -72.19 92.96 1.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -59.95 149.7 31.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -50.18 149.98 2.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.5 -1.09 40.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.1 t -60.04 -23.66 63.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.42 149.91 19.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.1 73.24 2.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.656 ' CD2' HD12 ' A' ' 5' ' ' ILE . 2.9 mt -108.02 150.02 27.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.481 HG12 ' H ' ' A' ' 25' ' ' SER . 43.7 t -131.63 147.82 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.8 p -144.05 22.42 1.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.481 ' H ' HG12 ' A' ' 23' ' ' VAL . 2.6 p -61.49 -75.56 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.812 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.45 -20.56 17.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -165.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.958 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.761 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 1.2 p -59.89 165.46 3.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 51.1 mtp85 -59.68 -19.87 52.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.761 ' CZ2' HG21 ' A' ' 28' ' ' THR . 44.5 p90 -102.76 144.11 31.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.97 128.7 38.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.856 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -130.85 150.11 52.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -69.89 150.06 47.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -77.21 130.99 37.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.434 HD12 ' O ' ' A' ' 35' ' ' ILE . 1.2 pp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.203 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.925 0.393 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.6 p -158.22 152.09 23.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.555 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -62.51 93.37 0.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -90.77 -101.99 0.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.534 ' HA ' HD13 ' A' ' 22' ' ' LEU . 1.1 tp -90.2 141.08 14.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.155 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 55.38 17.74 2.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.411 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 30.1 mmtt -101.04 130.05 46.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.429 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -63.51 141.19 58.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.09 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.1 p -114.54 142.94 45.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.68 149.57 95.32 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.627 0.727 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -22.12 32.66 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.689 2.259 . . . . 0.0 112.336 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.82 -30.84 17.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.658 ' C ' ' H ' ' A' ' 15' ' ' GLN . 7.3 m120 -91.86 -67.07 0.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 62.73 -19.23 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.658 ' H ' ' C ' ' A' ' 13' ' ' ASN . 51.5 tp60 -72.79 93.92 1.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.3 149.98 31.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 t -49.9 149.95 2.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.5 mmmt -77.37 -3.72 41.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 t -59.86 -20.39 56.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.825 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.28 147.63 10.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.27 67.1 2.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.534 HD13 ' HA ' ' A' ' 5' ' ' ILE . 88.1 mt -100.98 150.08 23.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.0 m -128.35 147.19 32.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.0 p -141.43 14.71 2.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.8 t -57.92 -75.56 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.8 mtt85 -94.38 -19.92 20.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.843 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -65.46 -168.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.753 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 0.8 OUTLIER -59.86 169.3 1.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 64.4 mtm-85 -59.63 -19.89 52.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.753 ' CZ2' HG21 ' A' ' 28' ' ' THR . 48.2 p90 -104.24 143.92 32.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.0 130.74 48.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -131.24 150.01 52.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -70.14 150.02 46.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -85.83 95.84 9.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 9.0 tp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 179.938 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.93 0.395 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.7 p -51.68 149.28 4.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.565 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -61.22 93.91 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.585 ' O ' HD13 ' A' ' 22' ' ' LEU . 27.7 mt-10 -90.89 -101.9 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.555 HD12 ' CD2' ' A' ' 22' ' ' LEU . 1.1 tp -90.29 141.37 14.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 53.86 19.33 1.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.418 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 36.9 mmtt -101.03 130.13 46.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.452 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -63.62 138.97 58.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.09 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 18.3 p -108.84 126.4 53.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 51.0 p-10 -70.08 150.25 96.18 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.614 0.721 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -14.6 36.36 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.689 2.26 . . . . 0.0 112.334 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -56.07 9.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.662 ' C ' ' H ' ' A' ' 15' ' ' GLN . 24.2 t30 -102.59 -47.69 4.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.78 -19.2 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.662 ' H ' ' C ' ' A' ' 13' ' ' ASN . 89.5 mt-30 -70.27 104.14 2.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -59.92 149.1 32.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.828 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -50.15 147.37 4.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -80.97 -1.21 42.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 p -60.42 -25.09 65.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.823 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.5 m -158.47 150.04 21.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -73.05 100.8 3.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.585 HD13 ' O ' ' A' ' 4' ' ' GLU . 5.9 mt -139.2 149.99 45.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.9 m -132.48 148.67 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 18.1 p -144.96 22.05 1.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.1 m -62.31 -75.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.7 mmm-85 -96.73 -19.95 18.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -165.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.768 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 1.6 p -59.78 165.12 3.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -59.67 -19.91 52.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.768 ' CZ2' HG21 ' A' ' 28' ' ' THR . 42.4 p90 -102.35 144.24 31.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.85 128.06 35.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.9 mtpp -129.01 150.15 50.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -69.89 150.03 47.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -70.89 124.68 24.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.8 mm . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 179.931 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.915 0.388 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.6 p -150.72 152.04 33.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.544 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -62.24 93.6 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.531 ' O ' HD13 ' A' ' 22' ' ' LEU . 45.4 mt-10 -90.92 -101.85 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.582 HD12 ' CD2' ' A' ' 22' ' ' LEU . 1.2 tp -90.23 141.05 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 55.17 17.79 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.418 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 28.8 mmtm -101.0 130.12 46.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.447 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -62.93 139.88 58.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.6 p -112.13 148.17 34.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.87 150.13 92.83 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.655 0.74 . . . . 0.0 110.852 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -28.64 25.23 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.72 2.28 . . . . 0.0 112.359 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.66 -31.42 18.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.816 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.661 ' C ' ' H ' ' A' ' 15' ' ' GLN . 4.8 m120 -87.3 -68.02 0.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 62.79 -19.2 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.661 ' H ' ' C ' ' A' ' 13' ' ' ASN . 67.8 tp60 -70.79 92.66 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.37 148.15 38.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -50.12 149.97 2.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -82.2 0.41 41.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.3 t -60.17 -24.5 64.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.857 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.1 m -163.29 149.98 12.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -70.97 102.44 2.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.582 ' CD2' HD12 ' A' ' 5' ' ' ILE . 9.0 mt -140.93 149.99 42.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.2 m -132.28 148.72 31.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 18.9 p -143.13 23.1 1.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.6 m -63.69 -75.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.801 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -96.68 -20.28 18.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.82 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.2 mttp -65.36 -167.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.776 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 1.4 p -59.76 166.72 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.6 mtm-85 -59.67 -19.89 52.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.776 ' CZ2' HG21 ' A' ' 28' ' ' THR . 43.6 p90 -102.16 143.55 31.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.5 m -59.93 129.31 41.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -134.44 150.16 50.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -69.89 150.1 47.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -65.4 141.65 58.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.9 pt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 179.938 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.92 0.39 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.7 p -149.61 149.48 30.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -61.46 93.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.555 ' O ' HD13 ' A' ' 22' ' ' LEU . 80.5 mt-10 -90.85 -101.9 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.531 HD12 ' CD2' ' A' ' 22' ' ' LEU . 1.3 tp -90.26 141.54 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 53.94 19.3 1.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.416 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 26.6 mmtt -100.92 129.75 46.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.94 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.403 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -63.8 139.38 58.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.075 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.5 p -111.72 125.48 54.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -70.11 150.16 96.14 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.607 0.717 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -10.05 27.61 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.69 2.26 . . . . 0.0 112.365 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.56 -29.48 27.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.667 ' C ' ' H ' ' A' ' 15' ' ' GLN . 8.3 m-20 -114.2 -58.85 2.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.3 t70 62.76 -19.19 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.667 ' H ' ' C ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -77.12 100.06 5.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -59.93 150.0 30.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -50.12 149.15 2.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt -82.8 -3.34 56.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.08 -23.7 64.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.0 m -159.99 149.75 18.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.835 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -72.69 107.67 5.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.555 HD13 ' O ' ' A' ' 4' ' ' GLU . 14.2 mt -145.28 149.78 35.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.878 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.5 m -132.13 148.64 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.4 p -145.12 21.3 1.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.83 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.04 -75.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -95.53 -19.99 19.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -66.76 -166.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.773 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 1.4 p -59.8 165.21 3.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.19 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 41.3 mtm180 -59.59 -19.89 52.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.773 ' CZ2' HG21 ' A' ' 28' ' ' THR . 42.1 p90 -102.15 143.51 31.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.6 m -59.93 129.07 39.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -136.81 150.12 48.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -69.82 150.07 47.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -62.02 147.44 47.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.7 mm . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 179.941 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.906 0.384 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.8 p -162.3 153.72 18.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.552 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -62.9 93.51 0.06 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.557 ' O ' HD13 ' A' ' 22' ' ' LEU . 74.0 mt-10 -90.97 -102.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.608 HD12 ' CD2' ' A' ' 22' ' ' LEU . 1.6 tp -90.2 140.87 15.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.187 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 55.5 17.67 2.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.419 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 46.3 mmtt -100.97 130.01 46.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.942 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.436 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -63.08 142.63 58.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.065 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.6 p -116.49 147.46 41.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.29 148.06 95.51 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.639 0.733 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -23.57 30.73 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.689 2.259 . . . . 0.0 112.356 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.9 t -90.71 -30.56 17.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.661 ' C ' ' H ' ' A' ' 15' ' ' GLN . 78.5 m-20 -90.99 -66.37 0.93 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.3 t70 62.78 -19.2 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.661 ' H ' ' C ' ' A' ' 13' ' ' ASN . 21.9 mm-40 -71.35 94.43 1.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.09 148.97 33.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.2 t -50.25 149.42 2.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.9 tptm -81.44 -3.2 52.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.34 -24.57 65.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.8 m -159.79 144.31 14.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.841 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -70.02 104.1 2.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.608 ' CD2' HD12 ' A' ' 5' ' ' ILE . 6.4 mt -142.83 150.04 39.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.43 HG12 ' H ' ' A' ' 25' ' ' SER . 21.9 t -129.39 145.45 35.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.8 p -141.47 16.47 2.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.43 ' H ' HG12 ' A' ' 23' ' ' VAL . 15.1 m -59.8 -75.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -95.13 -20.04 19.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -65.06 -168.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.748 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 0.8 OUTLIER -59.88 169.17 1.52 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.3 mtt180 -59.67 -19.87 52.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.748 ' CZ2' HG21 ' A' ' 28' ' ' THR . 48.1 p90 -104.68 144.2 32.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.95 132.36 53.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -134.57 150.14 50.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -69.98 150.01 47.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -57.67 136.76 56.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 51.9 mm . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.14 179.946 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.926 0.393 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.8 p -126.66 149.54 49.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.58 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -61.45 93.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -90.92 -102.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.508 ' HA ' HD13 ' A' ' 22' ' ' LEU . 1.4 tp -90.26 141.09 14.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 54.5 18.94 2.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.421 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 15.4 mmtp -100.93 129.25 46.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.42 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -62.44 140.44 58.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 20.9 p -111.3 132.23 54.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 43.6 p-10 -74.34 150.23 87.18 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.679 0.752 . . . . 0.0 110.837 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -14.7 36.23 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.638 2.225 . . . . 0.0 112.353 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.3 t -76.5 -54.93 6.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.657 ' C ' ' H ' ' A' ' 15' ' ' GLN . 8.4 m-20 -93.77 -55.52 3.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.8 -19.18 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.657 ' H ' ' C ' ' A' ' 13' ' ' ASN . 1.8 pt20 -70.04 99.94 1.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.1 t -59.95 149.53 31.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -50.29 150.03 2.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -79.55 -1.33 37.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.6 t -59.96 -20.89 60.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.21 146.89 7.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.847 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.1 tptp -72.71 78.7 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.508 HD13 ' HA ' ' A' ' 5' ' ' ILE . 93.5 mt -112.49 150.03 31.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.8 m -132.29 150.07 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.077 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 24.6 p -143.66 15.23 1.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.0 m -56.98 -75.95 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -94.45 -20.16 19.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -67.16 -166.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.769 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 1.4 p -59.86 165.81 2.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.1 mtt180 -59.68 -19.86 52.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.769 ' CZ2' HG21 ' A' ' 28' ' ' THR . 43.6 p90 -102.47 144.13 31.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.971 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.6 m -59.9 129.49 42.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.68 150.15 47.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -69.85 150.06 47.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.957 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -100.5 95.48 6.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 9.2 tp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.966 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.907 0.384 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.5 p -141.13 153.95 45.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.573 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -61.72 93.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.544 ' O ' HD13 ' A' ' 22' ' ' LEU . 3.4 mm-40 -90.88 -102.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.57 HD12 HD21 ' A' ' 22' ' ' LEU . 1.1 tp -90.24 141.62 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 53.79 19.66 1.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.41 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 18.6 mmtp -100.97 129.76 46.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.84 139.45 58.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 24.4 p -111.21 147.2 35.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.04 150.2 96.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.58 0.705 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -24.76 29.33 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.338 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.49 -32.73 16.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.785 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.657 ' C ' ' H ' ' A' ' 15' ' ' GLN . 7.0 t-20 -90.68 -67.16 0.87 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.0 t70 62.87 -19.23 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.849 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.657 ' H ' ' C ' ' A' ' 13' ' ' ASN . 81.6 mm-40 -70.89 97.26 1.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -59.88 149.81 30.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.0 t -50.0 144.62 6.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.97 -6.93 54.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.916 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.0 m -59.94 -22.02 61.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.3 m -157.9 147.15 19.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -75.92 105.17 6.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.57 HD21 HD12 ' A' ' 5' ' ' ILE . 11.6 mt -144.78 150.0 36.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.949 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.424 HG12 ' H ' ' A' ' 25' ' ' SER . 32.2 t -127.27 146.07 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.1 p -143.31 18.8 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.424 ' H ' HG12 ' A' ' 23' ' ' VAL . 5.3 p -64.65 -75.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -93.32 -20.16 20.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -67.41 -167.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.766 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 1.1 p -59.81 167.23 2.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 73.1 mtt-85 -59.59 -19.9 52.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.766 ' CZ2' HG21 ' A' ' 28' ' ' THR . 46.8 p90 -102.96 144.02 31.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.9 m -59.95 129.68 43.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -134.94 150.16 50.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.928 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -69.88 150.06 47.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -55.94 137.76 50.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.93 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.6 mm . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 179.959 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.847 0.356 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.1 p -143.79 154.45 43.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.571 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -62.12 93.21 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.445 ' O ' HD13 ' A' ' 22' ' ' LEU . 19.4 mt-10 -90.89 -101.9 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.1 tp -90.25 141.3 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 54.39 18.91 2.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.421 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 21.0 mmtp -101.02 129.56 46.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.89 139.95 58.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.0 p -108.97 132.95 53.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.2 p30 -69.98 150.25 96.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.627 0.727 . . . . 0.0 110.855 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -15.48 37.24 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.662 2.241 . . . . 0.0 112.4 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -75.04 -57.66 3.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.659 ' C ' ' H ' ' A' ' 15' ' ' GLN . 3.5 m-20 -93.38 -53.06 4.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.81 -19.13 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.659 ' H ' ' C ' ' A' ' 13' ' ' ASN . 0.9 OUTLIER -70.12 105.82 3.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.914 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.98 150.07 30.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 t -49.95 150.06 2.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.6 mmtt -88.74 43.27 1.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.03 -5.44 15.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.66 150.09 1.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -69.89 84.87 0.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.445 HD13 ' O ' ' A' ' 4' ' ' GLU . 58.0 mt -122.78 149.05 44.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.467 HG12 ' H ' ' A' ' 25' ' ' SER . 4.9 t -134.09 147.76 30.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.0 p -144.41 21.23 1.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.467 ' H ' HG12 ' A' ' 23' ' ' VAL . 2.2 p -66.51 -74.42 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.0 ptp85 -95.71 -20.02 19.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -66.38 -167.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.759 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 0.8 OUTLIER -59.79 167.4 2.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.8 mtp85 -59.77 -19.9 53.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.759 ' CZ2' HG21 ' A' ' 28' ' ' THR . 49.4 p90 -103.91 144.05 32.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.4 m -59.96 130.48 46.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -129.46 150.13 50.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.409 ' HA ' HD23 ' A' ' 22' ' ' LEU . 5.0 p90 -69.84 150.04 47.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -51.16 142.99 11.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.1 mp . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.849 0.356 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.4 p -157.49 152.55 25.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -62.38 92.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.957 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -90.9 -102.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.56 ' HA ' HD22 ' A' ' 22' ' ' LEU . 1.1 tp -90.26 142.48 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.103 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 52.78 20.34 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.945 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.405 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 15.7 mmtp -100.9 139.82 36.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.523 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -69.66 133.4 47.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.6 p -108.14 133.66 52.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.97 150.2 96.33 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -27.13 26.83 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.653 2.235 . . . . 0.0 112.368 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -64.2 0.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.658 ' C ' ' H ' ' A' ' 15' ' ' GLN . 3.7 m120 -79.86 -55.67 4.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 62.84 -19.14 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.658 ' H ' ' C ' ' A' ' 13' ' ' ASN . 22.0 mm100 -70.03 101.44 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.89 149.96 30.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -50.12 149.97 2.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -82.71 -1.17 50.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.06 -24.69 64.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.857 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.496 ' O ' HD12 ' A' ' 22' ' ' LEU . 0.7 OUTLIER -159.65 149.96 18.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.837 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.5 tttm -72.54 97.8 2.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.56 HD22 ' HA ' ' A' ' 5' ' ' ILE . 0.5 OUTLIER -133.91 149.98 51.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.9 m -133.11 144.52 36.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.8 p -142.75 14.92 1.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.3 m -51.47 -75.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -99.91 -20.09 16.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.917 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.6 mmmm -61.49 -167.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.765 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 0.9 OUTLIER -59.86 167.86 2.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.17 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.4 mtm-85 -59.61 -19.93 52.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.765 ' CZ2' HG21 ' A' ' 28' ' ' THR . 49.1 p90 -103.76 141.89 35.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.97 132.5 54.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -130.24 150.07 51.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -69.99 150.05 47.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.942 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -100.57 123.59 44.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.5 mm . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.908 0.385 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.5 p -165.24 150.48 9.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.569 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.6 OUTLIER -60.97 93.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -90.85 -102.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.499 ' HA ' HD13 ' A' ' 22' ' ' LEU . 1.3 tp -90.21 141.2 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.106 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 54.36 19.06 2.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.418 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 20.4 mmtp -100.96 128.2 47.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.79 141.98 58.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.7 p -113.21 142.31 45.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.07 150.09 96.2 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.597 0.713 . . . . 0.0 110.872 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -20.62 34.63 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.67 2.247 . . . . 0.0 112.342 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.17 -33.05 15.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.829 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.657 ' C ' ' H ' ' A' ' 15' ' ' GLN . 30.5 m120 -93.43 -67.62 0.85 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.76 -19.16 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.657 ' H ' ' C ' ' A' ' 13' ' ' ASN . 28.4 mt-30 -70.61 95.14 1.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.95 150.07 29.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -49.93 148.65 3.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -77.52 -5.81 51.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 p -60.36 -19.74 56.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.32 146.79 17.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -78.4 70.9 4.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.499 HD13 ' HA ' ' A' ' 5' ' ' ILE . 93.7 mt -106.3 150.01 26.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.924 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.7 m -127.02 148.48 31.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.5 p -144.63 17.06 1.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.6 m -61.97 -75.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 35.9 mtt85 -94.01 -19.96 20.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.01 -166.12 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.74 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 1.1 p -59.86 166.06 2.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.0 mtp85 -59.61 -19.93 52.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.74 ' CZ2' HG21 ' A' ' 28' ' ' THR . 48.1 p90 -103.65 144.32 31.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.9 m -59.9 130.36 46.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt -138.36 150.24 46.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -69.95 150.09 47.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -78.91 141.32 37.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 44.3 pt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.85 0.357 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.8 p -147.55 148.97 31.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.588 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -62.24 92.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.506 ' O ' HD13 ' A' ' 22' ' ' LEU . 48.1 mt-10 -91.07 -102.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.623 HD12 ' CD2' ' A' ' 22' ' ' LEU . 1.3 tp -90.35 140.64 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 56.3 17.24 2.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.43 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 25.3 mmmt -100.94 129.96 46.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.41 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -63.87 140.61 58.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.5 p -112.21 126.63 55.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.532 ' ND2' ' H ' ' A' ' 13' ' ' ASN . 5.8 p-10 -70.16 150.09 96.07 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.622 0.725 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -10.72 29.29 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.707 2.271 . . . . 0.0 112.349 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.72 -47.18 15.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.665 ' C ' ' H ' ' A' ' 15' ' ' GLN . 28.4 m120 -102.27 -56.32 2.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 62.69 -19.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.665 ' H ' ' C ' ' A' ' 13' ' ' ASN . 94.8 mt-30 -70.34 99.37 1.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.96 149.98 30.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.41 150.07 2.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -79.06 -2.3 39.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.4 t -60.03 -21.94 62.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.75 150.03 17.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.866 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.0 tttm -76.19 66.31 2.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.623 ' CD2' HD12 ' A' ' 5' ' ' ILE . 8.5 mt -99.14 150.07 22.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.446 HG23 ' HE3' ' A' ' 27' ' ' LYS . 6.3 m -132.59 147.46 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.0 p -141.17 18.43 2.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.2 t -57.02 -75.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -96.89 -20.41 18.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.446 ' HE3' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -62.72 -168.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.763 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 0.8 OUTLIER -59.8 169.2 1.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.173 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.0 mtt85 -59.6 -19.84 51.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.763 ' CZ2' HG21 ' A' ' 28' ' ' THR . 49.3 p90 -103.8 143.9 32.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.98 131.7 51.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -130.8 150.11 52.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -69.99 150.01 47.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -108.86 64.14 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.933 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 pp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.128 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.88 0.371 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.2 p -144.06 149.5 36.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.565 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -61.24 93.73 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.557 ' O ' HD13 ' A' ' 22' ' ' LEU . 48.1 mt-10 -90.96 -101.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.577 HD12 ' CD2' ' A' ' 22' ' ' LEU . 1.2 tp -90.21 141.2 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.173 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 54.19 19.1 2.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.422 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 38.9 mmtt -101.02 130.04 46.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.439 ' O ' HD22 ' A' ' 3' ' ' LEU . . . -63.75 138.63 58.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.0 p -108.93 127.16 53.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -70.03 150.26 96.24 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.635 0.731 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -14.64 36.39 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.713 2.275 . . . . 0.0 112.343 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.4 t -73.3 -55.24 6.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.66 ' C ' ' H ' ' A' ' 15' ' ' GLN . 71.4 m-20 -97.1 -52.72 3.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.868 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.0 t70 62.8 -19.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.66 ' H ' ' C ' ' A' ' 13' ' ' ASN . 18.8 mm100 -70.56 101.41 2.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.93 149.97 30.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -50.11 150.03 2.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -78.97 -2.54 40.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.5 m -59.98 -21.1 60.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.24 149.88 16.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -76.69 64.56 2.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.577 ' CD2' HD12 ' A' ' 5' ' ' ILE . 8.0 mt -97.9 150.02 21.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.968 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.5 m -131.26 149.9 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.6 p -145.77 22.44 1.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.8 t -61.73 -75.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.819 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -96.83 -20.24 18.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -65.02 -165.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.774 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 1.3 p -59.88 164.89 3.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.18 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 47.5 mtt85 -59.69 -19.9 52.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.774 ' CZ2' HG21 ' A' ' 28' ' ' THR . 42.2 p90 -102.17 143.69 31.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.08 131.01 49.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -136.49 150.25 48.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -69.77 150.09 47.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -86.16 135.09 33.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.4 mp . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 179.952 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.876 0.37 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.0 p -165.07 151.78 10.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -62.71 92.27 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.525 ' O ' HD13 ' A' ' 22' ' ' LEU . 77.9 mt-10 -90.95 -101.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.606 HD12 ' CD2' ' A' ' 22' ' ' LEU . 1.3 tp -90.28 141.28 14.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 55.27 18.07 2.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.852 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.426 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 16.8 mmtm -100.96 129.93 46.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.52 138.37 58.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.094 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.3 p -110.03 141.7 42.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.14 150.14 96.1 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.622 0.725 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -22.31 32.2 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.707 2.271 . . . . 0.0 112.309 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.79 -32.08 16.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.659 ' C ' ' H ' ' A' ' 15' ' ' GLN . 48.3 m-20 -92.53 -67.91 0.83 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.891 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.1 t70 62.71 -19.22 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.659 ' H ' ' C ' ' A' ' 13' ' ' ASN . 15.4 mt-30 -69.88 92.36 0.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.893 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -59.96 148.99 33.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -51.04 149.93 3.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.37 1.03 43.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -60.41 -25.87 66.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.6 m -160.7 149.62 16.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.881 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -70.08 100.39 1.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.606 ' CD2' HD12 ' A' ' 5' ' ' ILE . 5.6 mt -138.24 149.98 46.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.919 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.435 HG23 ' CD ' ' A' ' 27' ' ' LYS . 7.2 m -132.66 150.04 32.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.187 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.6 p -144.36 15.29 1.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.6 t -55.95 -74.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 37.4 mtt180 -98.09 -19.95 17.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.435 ' CD ' HG23 ' A' ' 23' ' ' VAL . 21.3 mtpt -63.5 -168.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.77 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 0.7 OUTLIER -59.89 168.31 1.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 28.5 mtp180 -59.71 -19.98 53.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.77 ' CZ2' HG21 ' A' ' 28' ' ' THR . 46.7 p90 -104.02 142.2 34.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.4 m -59.94 135.24 57.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.83 149.95 42.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -73.18 150.03 42.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -93.95 141.32 28.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.4 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 179.955 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.922 0.391 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.7 p -145.14 154.13 42.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.573 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -63.69 92.81 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -90.87 -101.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.465 HD12 HD22 ' A' ' 22' ' ' LEU . 1.2 tp -90.26 141.12 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.108 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 55.8 17.26 2.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.424 ' CB ' ' HA ' ' A' ' 3' ' ' LEU . 15.0 mmtp -100.97 130.03 46.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.99 137.52 57.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.1 p -106.0 132.44 52.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.5 p30 -78.77 150.29 75.4 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -12.34 32.72 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.733 2.289 . . . . 0.0 112.326 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.1 t -62.4 -52.34 63.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.667 ' C ' ' H ' ' A' ' 15' ' ' GLN . 1.1 p-10 -115.54 -39.36 3.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.81 -19.16 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.667 ' H ' ' C ' ' A' ' 13' ' ' ASN . 46.4 mt-30 -70.04 107.0 3.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.98 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.52 150.02 32.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -49.94 150.09 2.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.07 43.77 1.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.5 m -110.04 -2.55 16.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.37 150.11 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -69.92 83.99 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.465 HD22 HD12 ' A' ' 5' ' ' ILE . 24.9 mt -124.25 149.85 45.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.5 m -139.16 145.81 26.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.7 p -134.65 8.41 3.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.0 t -54.48 -75.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.53 -19.97 22.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -68.36 -173.13 0.38 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.752 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 0.7 OUTLIER -59.79 173.19 0.61 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.157 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 67.9 mtm180 -59.47 -19.73 49.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.752 ' CZ2' HG21 ' A' ' 28' ' ' THR . 46.2 p90 -104.14 141.91 35.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.2 m -59.96 128.35 36.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -127.54 150.08 49.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -69.97 150.01 47.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -97.19 154.09 17.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 62.0 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 179.964 . . . . . . . . 0 0 . 1 stop_ save_