data_2em0_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 2em0 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.8 p . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.765 0.317 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.572 ' CD1' ' N ' ' A' ' 25' ' ' ALA . 34.0 m95 -106.32 77.9 1.25 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -81.65 156.21 25.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -75.59 -178.57 4.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -94.48 -62.44 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -73.67 -69.12 0.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.446 ' O ' ' CG ' ' A' ' 19' ' ' ASP . 8.7 p -68.32 -19.37 64.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.446 ' CG ' ' O ' ' A' ' 18' ' ' CYS . 4.4 p-10 48.84 49.67 18.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.528 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 63.3 mtp -89.99 129.12 36.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.0 m -69.5 133.8 48.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.528 ' CD2' ' O ' ' A' ' 20' ' ' MET . 99.7 m-85 -133.3 97.19 3.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 22' ' ' PHE . 23.9 p -34.42 -41.51 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -99.53 125.52 45.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.949 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.572 ' N ' ' CD1' ' A' ' 13' ' ' TRP . . . -62.71 -43.39 98.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.3 m -57.13 -56.64 19.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.4 m -43.17 -43.75 4.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.465 HD12 ' CE2' ' A' ' 22' ' ' PHE . 14.2 tp -64.11 -46.35 84.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 -45.26 -44.27 11.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.444 ' O ' ' CG ' ' A' ' 33' ' ' ASN . 4.1 mm? -76.82 -41.02 45.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 33' ' ' ASN . 7.1 t60 -53.51 -48.9 68.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 31' ' ' HIS . 43.8 mt-30 -37.75 -27.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' HIS . 40.6 m-20 -52.86 -48.23 67.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.423 HG22 ' N ' ' A' ' 35' ' ' HIS . 12.5 m -40.13 -27.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 33' ' ' ASN . 97.6 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.0 p . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.76 0.314 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.609 ' CD1' ' N ' ' A' ' 25' ' ' ALA . 28.9 m95 -111.81 87.39 2.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.941 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -87.75 153.49 21.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.9 t -83.58 179.48 7.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -101.83 -52.75 3.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -73.55 -73.57 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.411 ' O ' ' CG ' ' A' ' 19' ' ' ASP . 14.9 p -70.93 -11.1 60.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.411 ' CG ' ' O ' ' A' ' 18' ' ' CYS . 6.0 p-10 46.34 46.85 13.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.2 tpp -93.7 142.59 27.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.0 m -85.68 140.1 30.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -136.25 131.58 34.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.7 m -84.53 36.48 0.59 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -165.76 106.25 0.72 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.609 ' N ' ' CD1' ' A' ' 13' ' ' TRP . . . -45.7 -53.25 9.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.082 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 76.4 p -58.55 -43.44 89.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.894 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.7 t -55.02 -42.24 72.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.814 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.2 tp -68.83 -46.59 68.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.6 mtp85 -52.59 -48.34 66.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.417 ' O ' ' CG ' ' A' ' 33' ' ' ASN . 96.5 mt -68.62 -47.79 65.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -46.25 -51.9 13.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -41.76 -28.56 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.417 ' CG ' ' O ' ' A' ' 30' ' ' LEU . 65.9 m-20 -48.16 -43.58 31.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.4 m -56.35 -36.17 45.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.969 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.6 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.758 0.313 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.458 ' NE1' ' HB3' ' A' ' 25' ' ' ALA . 22.9 m95 -111.77 84.97 2.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -85.65 156.55 20.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.3 t -92.86 128.68 38.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.65 16.56 1.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.55 ' OE1' ' CG ' ' A' ' 35' ' ' HIS . 54.1 mt-10 -119.41 -54.74 2.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.7 p -105.55 -10.52 16.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.2 t0 67.1 43.16 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 38.8 mtm -105.68 137.86 42.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.2 m -85.8 148.76 25.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.428 ' CZ ' ' CD2' ' A' ' 31' ' ' HIS . 16.9 m-85 -136.33 112.03 9.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.7 m -48.03 -39.67 20.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.859 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -108.09 143.0 37.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.458 ' HB3' ' NE1' ' A' ' 13' ' ' TRP . . . -73.01 -45.25 58.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 84.4 p -51.84 -49.72 62.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.816 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.4 t -52.68 -43.2 65.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.416 HD13 ' CD1' ' A' ' 22' ' ' PHE . 20.3 tp -61.17 -49.98 75.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -46.72 -45.1 19.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.401 ' C ' ' N ' ' A' ' 32' ' ' GLN . 9.3 mt -73.93 -49.48 24.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.428 ' CD2' ' CZ ' ' A' ' 22' ' ' PHE . 14.5 t60 -46.84 -20.18 0.13 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.401 ' N ' ' C ' ' A' ' 30' ' ' LEU . 81.9 mt-30 -82.73 24.62 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -115.53 7.66 14.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.3 m -110.01 -29.3 2.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.171 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.55 ' CG ' ' OE1' ' A' ' 17' ' ' GLU . 56.7 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.6 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.782 0.325 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.506 ' CE2' ' HB1' ' A' ' 25' ' ' ALA . 32.4 m95 -121.25 91.64 3.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.8 133.86 35.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -56.59 -176.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.803 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -113.77 -12.12 12.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.853 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -113.69 -73.1 0.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.0 p -75.96 -13.28 60.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.42 35.39 12.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.565 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 15.5 ttm -77.36 154.95 32.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.0 p -98.66 137.3 37.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 50.8 m-85 -135.45 128.13 30.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 m -70.01 -38.96 76.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.417 ' CD ' ' HB2' ' A' ' 27' ' ' SER . 2.4 pt20 -96.7 95.44 7.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.506 ' HB1' ' CE2' ' A' ' 13' ' ' TRP . . . -41.6 -30.22 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.096 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.7 p -67.73 -48.1 67.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.417 ' HB2' ' CD ' ' A' ' 24' ' ' GLN . 13.7 t -54.62 -45.53 73.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.548 HD11 ' CE1' ' A' ' 22' ' ' PHE . 15.6 tp -53.19 -56.43 16.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.4 mtt180 -41.76 -46.5 3.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.6 tp -74.18 -40.5 62.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.441 ' O ' ' C ' ' A' ' 32' ' ' GLN . 20.6 t60 -48.61 -49.87 35.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 31' ' ' HIS . 12.9 mt-30 -34.74 -35.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 31' ' ' HIS . 2.5 m-80 -45.53 -51.66 11.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.7 m -40.57 -29.76 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 37.8 m-70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.945 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.7 p . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.768 0.318 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 22.5 m95 -111.07 84.96 2.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.947 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -80.33 173.95 12.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.5 t -113.74 125.11 53.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -84.41 27.91 0.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -130.76 -47.63 1.04 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -112.78 -7.97 13.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 59.1 t0 67.31 39.4 3.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.569 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 11.8 tpp -102.02 148.93 24.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.455 ' N ' ' HG3' ' A' ' 20' ' ' MET . 80.4 m -96.16 133.79 40.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.569 ' CZ ' ' HG2' ' A' ' 20' ' ' MET . 97.5 m-85 -131.5 119.36 21.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.1 m -83.08 20.36 1.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -145.3 113.92 6.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.2 -52.8 50.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.082 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.2 p -57.46 -43.54 84.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.5 m -55.2 -53.07 60.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.815 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.7 tp -52.62 -47.98 66.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -61.98 -45.04 95.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.443 ' O ' ' CG ' ' A' ' 33' ' ' ASN . 28.9 tp -68.43 -18.57 64.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -86.16 -40.68 15.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -51.32 -24.69 4.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.443 ' CG ' ' O ' ' A' ' 30' ' ' LEU . 47.6 p30 -55.44 -19.8 10.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.429 HG23 ' N ' ' A' ' 35' ' ' HIS . 19.2 m -81.68 -24.79 9.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.429 ' N ' HG23 ' A' ' 34' ' ' VAL . 55.4 m-70 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.2 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.818 0.342 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -108.24 92.37 4.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.3 mmmm -88.35 161.92 16.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.888 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -90.55 -178.69 5.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.444 ' NH2' ' NE2' ' A' ' 32' ' ' GLN . 41.2 mtm-85 -100.6 -55.87 2.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -72.83 -73.82 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.445 ' C ' ' CG ' ' A' ' 19' ' ' ASP . 24.9 p -74.88 -10.26 59.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.445 ' CG ' ' C ' ' A' ' 18' ' ' CYS . 0.2 OUTLIER 48.5 44.22 20.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.526 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -79.72 140.68 36.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.5 p -86.44 136.38 33.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.526 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 93.5 m-85 -130.68 143.21 50.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.8 t -82.33 -35.27 28.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -106.27 128.11 53.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.14 -48.71 80.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.1 m -50.75 -45.11 58.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.837 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 34.0 t -58.0 -40.74 81.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.817 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.401 HD11 ' CD1' ' A' ' 22' ' ' PHE . 6.0 tp -64.25 -55.3 22.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.8 mtm105 -47.85 -43.17 28.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.436 HD21 ' N ' ' A' ' 31' ' ' HIS . 0.3 OUTLIER -75.56 -34.82 60.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.436 ' N ' HD21 ' A' ' 30' ' ' LEU . 23.0 t60 -69.16 -21.03 64.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.444 ' NE2' ' NH2' ' A' ' 16' ' ' ARG . 94.0 mt-30 -83.98 23.25 1.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.931 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -121.56 -3.36 9.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.9 m -87.09 -29.54 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.141 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.927 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.0 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.798 0.332 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.48 ' CD1' ' N ' ' A' ' 25' ' ' ALA . 25.2 m95 -116.77 79.99 1.41 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.481 ' CB ' ' HA ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -109.51 160.73 15.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.92 179.887 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.3 t -76.56 170.17 16.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.63 19.62 17.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -134.69 -58.9 0.81 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.6 p -85.24 -15.49 43.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.2 t70 64.15 46.08 3.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.421 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 78.1 mtp -106.62 110.32 22.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.481 ' HA ' ' CB ' ' A' ' 14' ' ' LYS . 14.1 t -73.5 144.22 46.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.839 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.454 ' O ' ' C ' ' A' ' 23' ' ' SER . 88.7 m-85 -131.83 101.78 5.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 22' ' ' PHE . 2.7 t -34.25 -40.93 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.858 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -106.27 135.04 48.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.48 ' N ' ' CD1' ' A' ' 13' ' ' TRP . . . -65.51 -47.3 76.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.9 m -48.57 -48.44 38.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 38.1 m -53.71 -43.17 68.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.1 tp -65.41 -44.0 88.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 70.1 mtt180 -48.7 -46.93 41.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.5 mt -67.48 -40.01 85.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.535 ' CE1' HG21 ' A' ' 34' ' ' VAL . 7.3 t60 -61.84 -35.99 79.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.817 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -50.86 -18.1 0.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -84.54 25.86 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.535 HG21 ' CE1' ' A' ' 31' ' ' HIS . 34.7 m -108.79 -37.06 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.181 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.925 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.4 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.733 0.301 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.569 ' CD1' ' N ' ' A' ' 25' ' ' ALA . 37.9 m95 -110.86 107.22 16.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.927 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -104.98 167.96 9.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -98.18 -179.39 4.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.414 ' HD3' ' C ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -111.26 -55.9 2.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -58.69 -67.46 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.5 p -79.85 -30.26 40.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.8 t0 73.49 34.92 0.92 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.2 ttp -77.49 167.65 21.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.3 m -120.53 134.74 55.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -128.84 174.85 9.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.9 p -98.13 -45.24 6.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -107.46 138.96 42.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.952 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.569 ' N ' ' CD1' ' A' ' 13' ' ' TRP . . . -65.49 -50.62 64.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.5 p -43.39 -43.34 5.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.1 m -63.42 -43.29 97.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.2 tt -62.33 -51.94 65.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.9 mmt-85 -43.19 -48.8 6.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 tt -70.33 -48.62 55.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.487 ' O ' ' N ' ' A' ' 33' ' ' ASN . 5.0 t60 -46.66 -49.61 18.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -38.92 -26.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 31' ' ' HIS . 73.5 m-20 -49.2 -47.69 45.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.6 m -40.38 -28.22 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.151 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.826 179.923 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.765 0.316 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.426 ' CB ' HD13 ' A' ' 28' ' ' LEU . 20.2 m95 -118.46 98.65 6.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.6 ptmm? -117.81 160.77 20.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.45 ' SG ' ' CD ' ' A' ' 17' ' ' GLU . 43.8 t -97.21 131.71 43.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.411 ' N ' ' OE1' ' A' ' 17' ' ' GLU . 13.4 mmt85 -90.92 32.73 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.829 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.45 ' CD ' ' SG ' ' A' ' 15' ' ' CYS . 1.8 mp0 -131.21 -57.12 1.02 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.6 p -94.7 -13.41 25.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 74.23 54.45 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.1 mmm -118.91 159.22 24.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.8 p -131.33 137.88 48.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -129.42 154.88 46.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 92.1 p -79.76 -45.67 18.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -104.38 139.94 38.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.39 -46.07 77.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.4 m -44.64 -46.49 10.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.864 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.7 m -60.18 -41.75 93.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.426 HD13 ' CB ' ' A' ' 13' ' ' TRP . 3.9 tt -62.35 -58.07 9.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 28' ' ' LEU . 12.6 mtp180 -36.92 -49.36 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.5 mt -64.42 -42.73 95.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.449 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 8.6 t60 -53.96 -46.22 71.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -40.22 -26.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.958 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 31' ' ' HIS . 4.6 m-20 -56.9 -45.96 82.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.449 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 24.5 m -51.36 -19.75 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.868 179.942 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.434 ' O ' ' CE3' ' A' ' 13' ' ' TRP . 1.7 t . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.768 0.318 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.434 ' CE3' ' O ' ' A' ' 12' ' ' THR . 21.9 m95 -135.04 85.85 2.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -68.26 153.72 43.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -91.23 -177.1 4.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 79.2 mtt-85 -105.01 -59.59 1.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.9 mp0 -63.07 -71.26 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.9 p -75.32 -25.06 57.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.7 t70 65.8 37.18 5.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.563 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 2.7 tmm? -85.61 145.72 27.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.2 p -87.84 134.43 33.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 87.3 m-85 -130.15 120.42 24.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.5 t -62.02 -36.16 80.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -97.82 125.66 42.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.433 ' N ' ' CD1' ' A' ' 13' ' ' TRP . . . -65.18 -46.16 81.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.3 m -56.76 -42.42 79.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.852 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.0 t -57.8 -42.63 84.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.1 tp -62.84 -44.22 96.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.5 mtp85 -51.56 -47.0 63.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.0 mt -76.28 -43.91 39.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.465 ' CD2' ' CZ ' ' A' ' 22' ' ' PHE . 11.3 t60 -52.98 -18.4 1.96 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -84.04 23.83 0.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -99.27 -37.81 9.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 32.7 m -60.58 -39.47 81.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.181 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 66.1 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.81 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.788 0.328 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.461 ' CD1' ' C ' ' A' ' 24' ' ' GLN . 30.1 m95 -133.84 104.55 6.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.47 ' HD3' ' CB ' ' A' ' 21' ' ' CYS . 30.7 mmtt -84.9 168.11 15.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.1 t -109.56 172.86 6.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -106.8 -28.24 10.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.405 ' HG3' ' CB ' ' A' ' 35' ' ' HIS . 6.8 mm-40 -90.77 -67.41 0.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.443 ' O ' ' CG ' ' A' ' 19' ' ' ASP . 29.7 p -86.71 -3.66 59.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 18' ' ' CYS . 2.7 p30 50.35 36.26 12.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.486 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 17.1 tpp -84.36 142.94 29.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.47 ' CB ' ' HD3' ' A' ' 14' ' ' LYS . 17.8 p -97.56 140.53 31.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.486 ' CZ ' ' HG2' ' A' ' 20' ' ' MET . 95.5 m-85 -131.37 173.26 11.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.1 p -105.87 -42.74 5.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.461 ' C ' ' CD1' ' A' ' 13' ' ' TRP . 37.9 mt-30 -92.7 131.9 37.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.428 ' N ' ' NE1' ' A' ' 13' ' ' TRP . . . -64.63 -48.12 76.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.7 p -53.64 -25.29 17.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.412 ' O ' ' CB ' ' A' ' 31' ' ' HIS . 22.8 t -79.21 -47.49 15.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.854 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -68.64 -51.63 40.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 -47.61 -51.16 22.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 27.7 tp -75.07 -42.57 56.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.412 ' CB ' ' O ' ' A' ' 27' ' ' SER . 9.7 t60 -51.29 -17.41 0.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -82.68 17.93 1.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 54.1 m-20 -116.6 12.22 14.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.6 m -99.97 -27.8 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.405 ' CB ' ' HG3' ' A' ' 17' ' ' GLU . 52.1 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.0 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.772 0.32 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.565 ' CD1' ' HA ' ' A' ' 25' ' ' ALA . 31.4 m95 -133.48 105.24 6.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.8 mttt -86.63 162.99 17.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.4 t -101.33 169.0 9.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.412 ' HG3' ' CD ' ' A' ' 17' ' ' GLU . 5.3 ptm180 -99.97 -24.31 14.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.412 ' CD ' ' HG3' ' A' ' 16' ' ' ARG . 30.8 mp0 -96.8 -73.26 0.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.463 ' C ' ' CG ' ' A' ' 19' ' ' ASP . 30.6 p -77.37 -5.76 50.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.463 ' CG ' ' C ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER 49.02 39.3 14.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 19.4 tpp -86.94 139.08 30.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 33.3 m -92.01 137.09 32.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -126.66 179.17 5.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.3 p -113.59 -42.19 3.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.811 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -94.86 127.71 41.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.565 ' HA ' ' CD1' ' A' ' 13' ' ' TRP . . . -61.88 -43.88 97.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.7 t -57.66 -30.45 65.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.8 m -75.83 -45.29 36.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -67.34 -51.19 55.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 53.7 mtt-85 -50.43 -52.59 36.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.1 tp -71.51 -32.08 67.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 24.6 t60 -62.67 -20.03 64.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -84.28 25.47 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -105.19 -28.89 10.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.4 m -66.43 -37.59 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.946 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.6 p . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.792 0.33 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.411 ' CE2' ' HB2' ' A' ' 25' ' ' ALA . 16.3 m95 -126.11 94.14 4.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.438 ' CB ' ' HA ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -114.1 163.47 15.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -83.04 -178.53 7.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -102.51 -54.14 2.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -64.54 -70.82 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 19' ' ' ASP . 24.7 p -68.26 -13.77 62.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.421 ' CG ' ' O ' ' A' ' 18' ' ' CYS . 1.4 p30 51.36 25.17 2.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.57 ' HE1' ' CE2' ' A' ' 22' ' ' PHE . 3.6 tmm? -81.25 135.02 35.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.438 ' HA ' ' CB ' ' A' ' 14' ' ' LYS . 7.1 t -86.37 147.69 25.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.57 ' CE2' ' HE1' ' A' ' 20' ' ' MET . 75.6 m-85 -130.92 124.45 31.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.7 p -53.16 -41.84 65.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -97.43 150.41 21.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.411 ' HB2' ' CE2' ' A' ' 13' ' ' TRP . . . -82.11 -47.5 12.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 t -57.2 -46.29 83.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.0 t -54.94 -36.56 65.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.9 tp -64.31 -46.07 85.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.6 mtt85 -55.91 -50.59 70.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.0 tp -64.15 -50.58 67.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 32' ' ' GLN . 5.7 t60 -42.89 -51.05 5.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 31' ' ' HIS . 56.2 mt-30 -34.5 -36.47 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 31' ' ' HIS . 68.1 m-20 -44.62 -51.77 8.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.5 m -38.03 -38.1 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.842 179.955 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.565 ' O ' ' CE3' ' A' ' 13' ' ' TRP . 2.2 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.758 0.313 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.565 ' CE3' ' O ' ' A' ' 12' ' ' THR . 17.2 m95 -137.82 105.56 5.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.958 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -82.76 146.23 29.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.0 t -76.57 178.77 6.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -97.62 -36.3 10.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.516 ' CG ' ' N ' ' A' ' 18' ' ' CYS . 1.4 tt0 -93.97 -73.3 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.516 ' N ' ' CG ' ' A' ' 17' ' ' GLU . 24.7 p -69.95 -9.36 54.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.453 ' CG ' ' O ' ' A' ' 18' ' ' CYS . 2.3 p30 50.67 30.53 4.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.449 ' HE1' ' CZ ' ' A' ' 22' ' ' PHE . 8.7 ttp -74.29 134.73 42.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.4 p -86.08 138.61 31.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.834 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.515 ' CD1' HD12 ' A' ' 28' ' ' LEU . 36.5 m-85 -121.68 -175.79 3.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.6 m -111.97 -43.32 3.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.417 ' C ' ' CD1' ' A' ' 13' ' ' TRP . 42.7 mt-30 -109.21 130.06 55.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.562 ' N ' ' NE1' ' A' ' 13' ' ' TRP . . . -52.55 -50.01 63.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.158 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.3 m -51.43 -45.69 62.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.7 m -57.41 -45.62 84.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.515 HD12 ' CD1' ' A' ' 22' ' ' PHE . 10.3 tp -66.22 -50.12 64.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -47.02 -49.54 20.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 67.1 mt -71.32 -38.08 71.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.456 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 22.1 t60 -61.15 -16.15 41.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -82.76 18.83 1.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -97.84 -30.36 12.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.461 HG21 ' CE1' ' A' ' 35' ' ' HIS . 19.1 m -61.2 -33.56 56.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.461 ' CE1' HG21 ' A' ' 34' ' ' VAL . 17.2 m-70 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.76 0.314 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.679 ' CD1' ' N ' ' A' ' 25' ' ' ALA . 5.1 m95 -109.25 108.0 18.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.0 129.23 46.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.409 ' SG ' ' NE2' ' A' ' 32' ' ' GLN . 15.4 t -53.59 165.91 0.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -99.93 -36.73 9.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -70.64 -73.14 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.451 ' O ' ' CG ' ' A' ' 19' ' ' ASP . 27.1 p -71.02 -5.66 32.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 18' ' ' CYS . 2.0 p30 51.36 26.11 2.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.511 ' HE2' ' CE2' ' A' ' 22' ' ' PHE . 1.2 ttp -83.3 142.09 31.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.2 p -100.16 148.22 24.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.511 ' CE2' ' HE2' ' A' ' 20' ' ' MET . 96.0 m-85 -127.52 178.65 5.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 87.1 p -105.61 -41.61 5.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -112.52 121.13 43.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.679 ' N ' ' CD1' ' A' ' 13' ' ' TRP . . . -50.06 -45.73 52.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.6 p -50.2 -44.4 53.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.5 t -60.75 -37.7 82.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 tt -65.99 -51.5 57.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.7 mmm-85 -43.47 -48.28 7.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.38 -35.11 70.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -61.08 -15.8 36.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.409 ' NE2' ' SG ' ' A' ' 15' ' ' CYS . 34.7 mm-40 -83.32 20.21 1.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.7 m-20 -95.75 -17.74 20.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.1 m -84.78 -31.86 7.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.967 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.781 0.324 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 33.2 m95 -110.14 79.72 1.24 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.31 147.97 28.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.6 t -75.29 147.24 40.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.4 ptt85 -108.17 31.61 5.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -135.0 -52.97 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -91.37 -13.45 32.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.2 t0 74.67 42.0 0.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.85 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 47.8 mtp -110.86 160.75 16.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.2 p -121.77 144.63 48.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.546 ' CD1' HD12 ' A' ' 28' ' ' LEU . 87.0 m-85 -139.09 150.05 45.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.9 m -108.64 27.86 8.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.819 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -151.56 109.68 3.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.969 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.55 -47.93 48.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -59.75 -44.59 93.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.7 t -58.54 -43.52 89.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.546 HD12 ' CD1' ' A' ' 22' ' ' PHE . 5.5 tp -71.28 -34.12 70.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -60.78 -34.04 73.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.6 mp -86.27 -40.14 15.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -64.51 -45.0 89.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -52.8 -15.89 0.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -80.83 14.82 2.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.461 HG23 ' CD2' ' A' ' 35' ' ' HIS . 16.4 m -98.66 -18.59 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.461 ' CD2' HG23 ' A' ' 34' ' ' VAL . 14.7 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.4 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.767 0.318 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.514 ' CD1' ' N ' ' A' ' 25' ' ' ALA . 32.7 m95 -104.95 78.56 1.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.8 157.06 23.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.7 t -117.79 115.8 25.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -87.51 34.09 0.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.414 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 67.7 mm-40 -127.94 -31.04 2.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -127.44 -9.03 5.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.8 t70 69.58 54.06 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 12.7 mmm -132.93 123.32 25.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.0 m -84.09 137.53 33.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -129.53 114.13 15.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.9 m -85.21 16.32 3.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -136.05 109.75 8.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.514 ' N ' ' CD1' ' A' ' 13' ' ' TRP . . . -49.83 -42.2 46.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.7 m -63.13 -40.71 98.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 t -62.67 -43.51 98.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.465 ' CD2' ' HB3' ' A' ' 13' ' ' TRP . 5.0 tp -68.91 -49.13 60.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -50.67 -44.19 57.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.7 tp -74.28 -45.06 50.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -55.97 -34.24 65.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -55.92 -13.72 2.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -84.71 20.79 1.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.1 m -115.33 -35.06 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.414 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 77.7 m-70 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.2 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.776 0.322 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.605 ' CD1' ' N ' ' A' ' 25' ' ' ALA . 12.5 m95 -111.78 53.74 0.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.436 ' CB ' ' HA ' ' A' ' 21' ' ' CYS . 9.5 pttm -82.37 162.56 22.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.4 t -102.25 122.15 43.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.851 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.0 mtp85 -84.49 20.13 1.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 18' ' ' CYS . 1.9 tp10 -115.98 -55.76 2.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.46 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 17.1 p -95.14 -11.63 27.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.2 t0 71.76 45.1 0.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 35.0 mtm -120.44 114.6 22.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.436 ' HA ' ' CB ' ' A' ' 14' ' ' LYS . 3.4 m -79.24 139.02 38.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.448 ' CD2' HD12 ' A' ' 28' ' ' LEU . 96.0 m-85 -126.98 121.05 30.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 t -86.55 32.92 0.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -158.66 111.4 2.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.605 ' N ' ' CD1' ' A' ' 13' ' ' TRP . . . -50.35 -56.31 11.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.7 t -54.2 -43.32 70.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.801 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.3 m -56.18 -47.42 78.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.448 HD12 ' CD2' ' A' ' 22' ' ' PHE . 19.6 tp -63.14 -48.67 77.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.924 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -42.43 -45.59 4.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.51 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 10.6 mp -72.74 -50.1 26.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -49.31 -45.07 44.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -48.98 -21.53 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.51 ' ND2' ' O ' ' A' ' 30' ' ' LEU . 19.7 p30 -61.02 -9.15 3.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.401 HG21 ' CD2' ' A' ' 35' ' ' HIS . 18.2 m -87.33 -17.61 8.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.082 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.401 ' CD2' HG21 ' A' ' 34' ' ' VAL . 81.0 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.769 0.319 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.418 ' CD1' ' N ' ' A' ' 25' ' ' ALA . 25.5 m95 -120.91 55.91 1.03 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -71.24 163.48 27.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -93.63 133.23 37.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.8 mmt-85 -85.8 21.75 1.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -127.64 -64.08 0.99 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.7 p -93.22 -15.87 25.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.6 t70 74.44 45.94 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 79.8 mtp -103.69 122.46 45.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.0 p -74.6 132.71 42.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.843 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.488 ' CD1' HD12 ' A' ' 28' ' ' LEU . 95.3 m-85 -127.85 124.71 38.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.5 m -85.62 29.3 0.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -156.79 105.38 2.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.418 ' N ' ' CD1' ' A' ' 13' ' ' TRP . . . -42.02 -53.82 3.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.2 m -54.46 -48.87 71.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.3 m -50.1 -42.68 50.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.488 HD12 ' CD1' ' A' ' 22' ' ' PHE . 21.2 tp -72.14 -45.66 59.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -48.58 -51.65 26.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.4 tp -70.38 -40.41 73.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.485 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 28.3 t60 -74.82 -4.39 37.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -86.17 -39.46 16.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.39 -37.14 84.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.402 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 28.7 m -39.76 -40.28 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.823 179.955 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.2 p . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.765 0.317 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 23.0 m95 -124.93 84.08 2.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -87.82 160.52 17.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.9 t -103.86 127.34 51.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -84.37 31.86 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -132.45 -42.37 0.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.9 p -125.28 -11.04 6.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 40.3 t0 71.58 54.39 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 64.3 mtp -112.22 124.84 53.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.0 m -83.35 142.67 30.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -135.26 134.83 40.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.5 m -71.86 -37.77 70.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.2 mp0 -99.82 149.07 23.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.73 -53.62 7.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.3 m -51.38 -45.38 62.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.5 m -54.35 -42.38 70.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.837 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.2 tp -67.22 -56.87 8.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.3 mtp85 -40.6 -50.86 3.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.01 -42.23 73.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -52.44 -21.96 4.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.85 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -84.57 26.82 0.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -97.31 -34.26 11.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.1 m -63.4 -38.02 81.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.811 179.931 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.6 p -88.93 79.08 7.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.85 0.357 . . . . 0.0 110.847 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -109.37 166.76 10.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.71 -121.61 4.79 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.8 p -74.87 101.37 4.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.902 0.382 . . . . 0.0 110.845 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.2 p -83.57 -32.46 25.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.71 -127.57 6.13 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.454 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.9 mmt -68.07 159.31 31.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.789 0.328 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.42 -129.28 0.14 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -174.61 126.23 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.909 0.385 . . . . 0.0 110.915 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.7 ptpp? -100.25 85.99 3.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.8 p -133.75 99.11 4.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.572 ' CD1' ' N ' ' A' ' 25' ' ' ALA . 34.0 m95 -106.32 77.9 1.25 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -81.65 156.21 25.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -75.59 -178.57 4.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -94.48 -62.44 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -73.67 -69.12 0.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.446 ' O ' ' CG ' ' A' ' 19' ' ' ASP . 8.7 p -68.32 -19.37 64.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.446 ' CG ' ' O ' ' A' ' 18' ' ' CYS . 4.4 p-10 48.84 49.67 18.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.528 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 63.3 mtp -89.99 129.12 36.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.0 m -69.5 133.8 48.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.528 ' CD2' ' O ' ' A' ' 20' ' ' MET . 99.7 m-85 -133.3 97.19 3.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 22' ' ' PHE . 23.9 p -34.42 -41.51 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -99.53 125.52 45.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.949 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.572 ' N ' ' CD1' ' A' ' 13' ' ' TRP . . . -62.71 -43.39 98.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.3 m -57.13 -56.64 19.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.4 m -43.17 -43.75 4.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.465 HD12 ' CE2' ' A' ' 22' ' ' PHE . 14.2 tp -64.11 -46.35 84.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 -45.26 -44.27 11.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.444 ' O ' ' CG ' ' A' ' 33' ' ' ASN . 4.1 mm? -76.82 -41.02 45.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 33' ' ' ASN . 7.1 t60 -53.51 -48.9 68.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 31' ' ' HIS . 43.8 mt-30 -37.75 -27.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' HIS . 40.6 m-20 -52.86 -48.23 67.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.423 HG22 ' N ' ' A' ' 35' ' ' HIS . 12.5 m -40.13 -27.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 33' ' ' ASN . 97.6 m-70 -88.62 33.86 0.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.421 ' N ' ' O ' ' A' ' 33' ' ' ASN . 93.6 t -135.0 78.62 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 158.78 -104.58 0.25 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.516 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 39' ' ' LYS . 8.1 mp0 -87.42 141.38 28.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.89 0.376 . . . . 0.0 110.903 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.466 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 30.9 mtpp 34.45 52.97 1.37 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.54 0.686 . . . . 0.0 110.857 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.5 Cg_endo -69.77 -5.32 15.93 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.718 2.279 . . . . 0.0 112.339 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.6 t 70.62 37.28 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.62 -70.93 1.19 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 131.49 21.25 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.668 2.245 . . . . 0.0 112.33 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.8 t -55.77 121.24 8.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 90.7 p -174.06 170.79 3.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.846 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.132 -0.816 . . . . 0.0 112.507 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -143.56 168.27 20.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.878 0.37 . . . . 0.0 110.839 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.5 t -64.99 155.04 35.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.87 -107.31 3.0 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.4 p -46.83 124.12 5.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 110.805 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.5 p -91.76 42.18 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.61 98.73 2.47 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -124.19 157.2 35.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.812 0.339 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.99 44.87 56.59 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.442 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -69.38 107.94 3.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.951 0.405 . . . . 0.0 110.911 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -69.74 94.1 0.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.0 p -151.28 109.44 3.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.172 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.609 ' CD1' ' N ' ' A' ' 25' ' ' ALA . 28.9 m95 -111.81 87.39 2.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.941 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -87.75 153.49 21.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.9 t -83.58 179.48 7.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -101.83 -52.75 3.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -73.55 -73.57 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.411 ' O ' ' CG ' ' A' ' 19' ' ' ASP . 14.9 p -70.93 -11.1 60.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.411 ' CG ' ' O ' ' A' ' 18' ' ' CYS . 6.0 p-10 46.34 46.85 13.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.2 tpp -93.7 142.59 27.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.0 m -85.68 140.1 30.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -136.25 131.58 34.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.7 m -84.53 36.48 0.59 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -165.76 106.25 0.72 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.609 ' N ' ' CD1' ' A' ' 13' ' ' TRP . . . -45.7 -53.25 9.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.082 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 76.4 p -58.55 -43.44 89.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.894 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.7 t -55.02 -42.24 72.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.814 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.2 tp -68.83 -46.59 68.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.6 mtp85 -52.59 -48.34 66.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.417 ' O ' ' CG ' ' A' ' 33' ' ' ASN . 96.5 mt -68.62 -47.79 65.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -46.25 -51.9 13.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -41.76 -28.56 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.417 ' CG ' ' O ' ' A' ' 30' ' ' LEU . 65.9 m-20 -48.16 -43.58 31.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.4 m -56.35 -36.17 45.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -67.88 -46.93 70.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.401 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 1.9 p -91.11 27.55 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -143.88 129.68 3.75 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -166.41 125.04 1.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.913 0.387 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.7 ptmm? -147.4 143.88 18.7 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.559 0.695 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 -170.65 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.733 2.289 . . . . 0.0 112.345 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.6 m -107.41 130.33 54.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.797 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.457 ' N ' ' HD2' ' A' ' 43' ' ' PRO . . . 133.02 -59.93 0.68 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.457 ' HD2' ' N ' ' A' ' 42' ' ' GLY . 53.5 Cg_endo -69.77 2.76 3.25 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.664 2.243 . . . . 0.0 112.343 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 43' ' ' PRO . 12.4 m -34.64 120.49 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 46' ' ' GLY . 65.3 m -73.95 -47.61 36.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 45' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.123 -0.821 . . . . 0.0 112.528 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -168.9 140.51 2.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.865 0.364 . . . . 0.0 110.837 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.9 p -151.2 150.8 31.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.11 88.09 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.479 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 t -94.23 119.66 33.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.84 0.353 . . . . 0.0 110.877 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.2 p -122.88 116.54 23.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.34 -135.2 3.05 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.507 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.4 mtt -156.6 137.91 13.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.833 0.349 . . . . 0.0 110.836 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.417 ' C ' ' CD ' ' A' ' 10' ' ' GLU . . . -65.86 -134.31 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.417 ' CD ' ' C ' ' A' ' 9' ' ' GLY . 42.3 mp0 -150.71 123.62 8.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.944 0.402 . . . . 0.0 110.867 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.404 ' NZ ' ' HB2' ' A' ' 11' ' ' LYS . 3.5 ttmp? -78.76 58.66 2.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.6 p -135.01 103.51 5.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.458 ' NE1' ' HB3' ' A' ' 25' ' ' ALA . 22.9 m95 -111.77 84.97 2.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -85.65 156.55 20.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.3 t -92.86 128.68 38.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.65 16.56 1.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.55 ' OE1' ' CG ' ' A' ' 35' ' ' HIS . 54.1 mt-10 -119.41 -54.74 2.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.7 p -105.55 -10.52 16.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.2 t0 67.1 43.16 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 38.8 mtm -105.68 137.86 42.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.2 m -85.8 148.76 25.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.428 ' CZ ' ' CD2' ' A' ' 31' ' ' HIS . 16.9 m-85 -136.33 112.03 9.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.7 m -48.03 -39.67 20.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.859 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -108.09 143.0 37.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.458 ' HB3' ' NE1' ' A' ' 13' ' ' TRP . . . -73.01 -45.25 58.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 84.4 p -51.84 -49.72 62.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.816 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.4 t -52.68 -43.2 65.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.416 HD13 ' CD1' ' A' ' 22' ' ' PHE . 20.3 tp -61.17 -49.98 75.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -46.72 -45.1 19.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.401 ' C ' ' N ' ' A' ' 32' ' ' GLN . 9.3 mt -73.93 -49.48 24.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.428 ' CD2' ' CZ ' ' A' ' 22' ' ' PHE . 14.5 t60 -46.84 -20.18 0.13 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.401 ' N ' ' C ' ' A' ' 30' ' ' LEU . 81.9 mt-30 -82.73 24.62 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -115.53 7.66 14.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.3 m -110.01 -29.3 2.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.171 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.55 ' CG ' ' OE1' ' A' ' 17' ' ' GLU . 56.7 m-70 -59.49 -16.23 22.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.5 p -87.97 22.84 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -86.05 -117.49 0.97 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.525 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -152.59 118.77 5.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.923 0.392 . . . . 0.0 110.892 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.445 ' HE2' ' CD ' ' A' ' 40' ' ' PRO . 1.6 mmpt? -142.31 155.92 64.36 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.59 0.71 . . . . 0.0 110.921 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.445 ' CD ' ' HE2' ' A' ' 39' ' ' LYS . 53.9 Cg_endo -69.79 164.32 34.99 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.676 2.251 . . . . 0.0 112.313 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 93.2 p -70.25 86.09 0.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.836 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -149.94 -76.39 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.517 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -10.48 28.66 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.372 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.1 m -118.4 142.97 47.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 73.8 m -76.69 -55.26 5.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.516 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.405 ' HG ' ' N ' ' A' ' 3' ' ' SER . 43.4 t -78.91 153.76 30.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.895 0.379 . . . . 0.0 110.869 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.405 ' N ' ' HG ' ' A' ' 2' ' ' SER . 57.8 m -112.21 -47.28 3.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.71 -89.93 1.25 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m -154.38 155.59 35.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.902 0.382 . . . . 0.0 110.867 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.5 p -114.12 116.76 29.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.906 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.86 69.43 0.96 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.529 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 32.5 mmm -83.16 106.22 14.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.81 0.338 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 161.23 101.33 0.16 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -101.25 83.18 2.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.935 0.398 . . . . 0.0 110.919 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -55.11 97.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.6 p -148.11 119.3 7.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.506 ' CE2' ' HB1' ' A' ' 25' ' ' ALA . 32.4 m95 -121.25 91.64 3.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.8 133.86 35.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -56.59 -176.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.803 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -113.77 -12.12 12.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.853 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -113.69 -73.1 0.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.0 p -75.96 -13.28 60.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.42 35.39 12.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.565 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 15.5 ttm -77.36 154.95 32.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.0 p -98.66 137.3 37.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 50.8 m-85 -135.45 128.13 30.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 m -70.01 -38.96 76.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.417 ' CD ' ' HB2' ' A' ' 27' ' ' SER . 2.4 pt20 -96.7 95.44 7.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.506 ' HB1' ' CE2' ' A' ' 13' ' ' TRP . . . -41.6 -30.22 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.096 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.7 p -67.73 -48.1 67.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.417 ' HB2' ' CD ' ' A' ' 24' ' ' GLN . 13.7 t -54.62 -45.53 73.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.548 HD11 ' CE1' ' A' ' 22' ' ' PHE . 15.6 tp -53.19 -56.43 16.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.4 mtt180 -41.76 -46.5 3.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.6 tp -74.18 -40.5 62.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.441 ' O ' ' C ' ' A' ' 32' ' ' GLN . 20.6 t60 -48.61 -49.87 35.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 31' ' ' HIS . 12.9 mt-30 -34.74 -35.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 31' ' ' HIS . 2.5 m-80 -45.53 -51.66 11.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.7 m -40.57 -29.76 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 37.8 m-70 -78.72 -46.01 19.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 87.3 t -40.99 105.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.22 42.43 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.473 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -77.61 155.24 31.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.894 0.378 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt -133.62 158.17 76.21 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.547 0.689 . . . . 0.0 110.926 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 172.33 12.82 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.694 2.263 . . . . 0.0 112.33 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.6 m -124.75 86.02 2.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.848 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.32 74.78 1.25 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.498 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -176.05 1.34 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.68 2.253 . . . . 0.0 112.379 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.7 t -88.67 88.63 7.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.0 m 44.09 42.11 4.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.473 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.6 p -107.92 127.75 54.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.853 0.358 . . . . 0.0 110.897 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.3 p -137.03 173.42 11.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -42.9 134.23 4.72 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.468 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.7 p -143.94 119.78 10.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.871 0.367 . . . . 0.0 110.863 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.8 p -69.62 118.42 12.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.23 142.28 14.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.474 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -67.49 137.71 56.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.829 0.347 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.12 101.28 0.94 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.45 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -138.08 113.01 9.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.909 0.385 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.7 ptmm? -105.74 117.08 33.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.7 p -152.95 109.99 3.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.192 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 22.5 m95 -111.07 84.96 2.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.947 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -80.33 173.95 12.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.5 t -113.74 125.11 53.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -84.41 27.91 0.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -130.76 -47.63 1.04 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -112.78 -7.97 13.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 59.1 t0 67.31 39.4 3.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.569 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 11.8 tpp -102.02 148.93 24.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.455 ' N ' ' HG3' ' A' ' 20' ' ' MET . 80.4 m -96.16 133.79 40.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.569 ' CZ ' ' HG2' ' A' ' 20' ' ' MET . 97.5 m-85 -131.5 119.36 21.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.1 m -83.08 20.36 1.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -145.3 113.92 6.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.2 -52.8 50.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.082 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.2 p -57.46 -43.54 84.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.5 m -55.2 -53.07 60.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.815 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.7 tp -52.62 -47.98 66.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -61.98 -45.04 95.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.443 ' O ' ' CG ' ' A' ' 33' ' ' ASN . 28.9 tp -68.43 -18.57 64.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -86.16 -40.68 15.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -51.32 -24.69 4.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.443 ' CG ' ' O ' ' A' ' 30' ' ' LEU . 47.6 p30 -55.44 -19.8 10.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.429 HG23 ' N ' ' A' ' 35' ' ' HIS . 19.2 m -81.68 -24.79 9.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.429 ' N ' HG23 ' A' ' 34' ' ' VAL . 55.4 m-70 -78.94 -54.6 5.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 35' ' ' HIS . 6.1 p -36.4 124.84 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.114 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.53 -148.1 8.55 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -142.09 169.36 17.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.939 0.399 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -132.83 155.78 80.8 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.585 0.707 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 160.2 50.58 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.653 2.235 . . . . 0.0 112.328 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.6 t -93.49 85.14 4.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.08 64.84 1.03 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.478 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 82.23 0.76 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.72 2.28 . . . . 0.0 112.349 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.2 m -95.53 -42.95 8.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.867 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 46' ' ' GLY . 68.5 m -79.09 159.15 27.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 45' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.473 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m -82.12 46.27 1.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.822 0.344 . . . . 0.0 110.854 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -165.25 127.94 2.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.69 87.74 0.31 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.521 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.0 t -115.67 128.44 55.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.892 0.377 . . . . 0.0 110.832 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.4 m -146.44 155.01 42.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.22 149.27 8.72 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.464 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 37.67 43.13 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 65.26 -174.07 17.94 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.493 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -118.97 -18.85 8.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.945 0.402 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -46.29 129.28 10.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.2 p -155.37 110.38 2.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -108.24 92.37 4.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.3 mmmm -88.35 161.92 16.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.888 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -90.55 -178.69 5.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.444 ' NH2' ' NE2' ' A' ' 32' ' ' GLN . 41.2 mtm-85 -100.6 -55.87 2.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -72.83 -73.82 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.445 ' C ' ' CG ' ' A' ' 19' ' ' ASP . 24.9 p -74.88 -10.26 59.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.445 ' CG ' ' C ' ' A' ' 18' ' ' CYS . 0.2 OUTLIER 48.5 44.22 20.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.526 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -79.72 140.68 36.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.5 p -86.44 136.38 33.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.526 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 93.5 m-85 -130.68 143.21 50.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.8 t -82.33 -35.27 28.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -106.27 128.11 53.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.14 -48.71 80.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.1 m -50.75 -45.11 58.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.837 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 34.0 t -58.0 -40.74 81.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.817 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.401 HD11 ' CD1' ' A' ' 22' ' ' PHE . 6.0 tp -64.25 -55.3 22.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.8 mtm105 -47.85 -43.17 28.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.436 HD21 ' N ' ' A' ' 31' ' ' HIS . 0.3 OUTLIER -75.56 -34.82 60.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.436 ' N ' HD21 ' A' ' 30' ' ' LEU . 23.0 t60 -69.16 -21.03 64.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.444 ' NE2' ' NH2' ' A' ' 16' ' ' ARG . 94.0 mt-30 -83.98 23.25 1.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.931 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -121.56 -3.36 9.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.9 m -87.09 -29.54 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.141 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -62.2 -56.41 18.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.8 p -41.25 122.96 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.55 93.57 0.25 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.505 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -174.22 116.81 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.907 0.384 . . . . 0.0 110.844 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -115.43 143.62 30.8 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.571 0.701 . . . . 0.0 110.919 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 2.77 3.21 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.634 2.223 . . . . 0.0 112.379 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.0 p 56.21 39.05 30.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.54 -73.09 1.08 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.524 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 168.87 20.36 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.676 2.251 . . . . 0.0 112.341 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.3 m -126.49 48.37 2.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.842 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.8 t -126.65 103.5 7.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.838 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 CA-C-O 119.177 -0.791 . . . . 0.0 112.489 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t 67.05 42.27 2.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.903 0.383 . . . . 0.0 110.837 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -111.02 155.0 23.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.816 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.91 -173.11 30.38 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.5 t -120.48 96.66 5.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.899 0.38 . . . . 0.0 110.886 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.6 t -134.47 97.54 3.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.8 -75.25 1.23 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.504 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 38.2 mmt -46.11 128.16 9.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.837 0.351 . . . . 0.0 110.846 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.03 124.01 6.78 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.466 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 12' ' ' THR . 1.2 tm-20 -60.57 102.38 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.923 0.392 . . . . 0.0 110.868 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -40.42 93.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 10' ' ' GLU . 2.0 p -138.4 109.69 6.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.48 ' CD1' ' N ' ' A' ' 25' ' ' ALA . 25.2 m95 -116.77 79.99 1.41 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.481 ' CB ' ' HA ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -109.51 160.73 15.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.92 179.887 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.3 t -76.56 170.17 16.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.63 19.62 17.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -134.69 -58.9 0.81 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.6 p -85.24 -15.49 43.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.2 t70 64.15 46.08 3.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.421 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 78.1 mtp -106.62 110.32 22.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.481 ' HA ' ' CB ' ' A' ' 14' ' ' LYS . 14.1 t -73.5 144.22 46.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.839 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.454 ' O ' ' C ' ' A' ' 23' ' ' SER . 88.7 m-85 -131.83 101.78 5.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 22' ' ' PHE . 2.7 t -34.25 -40.93 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.858 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -106.27 135.04 48.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.48 ' N ' ' CD1' ' A' ' 13' ' ' TRP . . . -65.51 -47.3 76.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.9 m -48.57 -48.44 38.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 38.1 m -53.71 -43.17 68.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.1 tp -65.41 -44.0 88.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 70.1 mtt180 -48.7 -46.93 41.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.5 mt -67.48 -40.01 85.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.535 ' CE1' HG21 ' A' ' 34' ' ' VAL . 7.3 t60 -61.84 -35.99 79.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.817 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -50.86 -18.1 0.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -84.54 25.86 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.535 HG21 ' CE1' ' A' ' 31' ' ' HIS . 34.7 m -108.79 -37.06 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.181 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -89.22 31.94 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.4 p -128.45 129.91 69.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.96 81.82 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.477 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -70.14 161.93 29.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.944 0.402 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.49 126.04 5.7 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.581 0.705 . . . . 0.0 110.887 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 2.58 3.44 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.673 2.249 . . . . 0.0 112.35 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.7 m 63.22 54.94 1.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 122.98 67.66 0.22 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -44.49 2.02 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.659 2.239 . . . . 0.0 112.348 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 84.3 p -98.1 106.6 18.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.4 p -101.74 -51.65 3.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 CA-C-O 119.161 -0.799 . . . . 0.0 112.487 -179.954 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 3' ' ' SER . 52.3 p -108.01 -43.59 4.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.897 0.379 . . . . 0.0 110.893 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 2' ' ' SER . 18.8 m -37.77 -58.06 0.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.846 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.14 174.14 17.45 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.464 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.5 m -162.28 139.57 8.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.862 0.363 . . . . 0.0 110.896 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -62.29 138.28 58.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.78 50.75 0.15 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.5 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.0 mtt -79.05 158.9 27.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.759 0.314 . . . . 0.0 110.938 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.33 -61.64 0.77 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -53.51 128.99 30.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.932 0.396 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -70.61 126.17 28.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.4 p -141.54 106.88 5.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.569 ' CD1' ' N ' ' A' ' 25' ' ' ALA . 37.9 m95 -110.86 107.22 16.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.927 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -104.98 167.96 9.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -98.18 -179.39 4.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.414 ' HD3' ' C ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -111.26 -55.9 2.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -58.69 -67.46 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.5 p -79.85 -30.26 40.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.8 t0 73.49 34.92 0.92 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.2 ttp -77.49 167.65 21.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.3 m -120.53 134.74 55.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -128.84 174.85 9.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.9 p -98.13 -45.24 6.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -107.46 138.96 42.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.952 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.569 ' N ' ' CD1' ' A' ' 13' ' ' TRP . . . -65.49 -50.62 64.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.5 p -43.39 -43.34 5.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.1 m -63.42 -43.29 97.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.2 tt -62.33 -51.94 65.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.9 mmt-85 -43.19 -48.8 6.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 tt -70.33 -48.62 55.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.487 ' O ' ' N ' ' A' ' 33' ' ' ASN . 5.0 t60 -46.66 -49.61 18.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -38.92 -26.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 31' ' ' HIS . 73.5 m-20 -49.2 -47.69 45.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.6 m -40.38 -28.22 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.151 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -91.04 34.83 0.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.826 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 33' ' ' ASN . 40.8 t -112.29 127.33 69.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.158 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.11 139.91 46.41 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.479 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -132.3 -38.22 1.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.901 0.381 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.9 tttp -43.52 131.64 3.74 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.598 0.714 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 152.11 69.27 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.664 2.243 . . . . 0.0 112.354 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -92.11 83.09 5.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 169.19 -78.57 0.1 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.482 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 94.22 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.716 2.277 . . . . 0.0 112.313 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.7 m -102.78 93.3 5.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.0 t -117.9 137.5 52.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.836 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.173 -0.793 . . . . 0.0 112.483 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.5 t -96.92 -65.39 0.97 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.868 0.366 . . . . 0.0 110.859 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.6 p -123.91 79.73 1.75 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.55 53.67 19.86 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.499 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.8 p -112.54 41.89 1.94 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.895 0.378 . . . . 0.0 110.847 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -55.12 -61.42 2.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.38 -65.97 3.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.518 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.1 mmt -41.57 159.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.781 0.324 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.07 125.25 8.42 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -110.46 40.81 1.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.919 0.39 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.6 ptpp? -67.93 118.61 11.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 p -155.69 118.18 4.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.426 ' CB ' HD13 ' A' ' 28' ' ' LEU . 20.2 m95 -118.46 98.65 6.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.6 ptmm? -117.81 160.77 20.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.45 ' SG ' ' CD ' ' A' ' 17' ' ' GLU . 43.8 t -97.21 131.71 43.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.411 ' N ' ' OE1' ' A' ' 17' ' ' GLU . 13.4 mmt85 -90.92 32.73 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.829 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.45 ' CD ' ' SG ' ' A' ' 15' ' ' CYS . 1.8 mp0 -131.21 -57.12 1.02 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.6 p -94.7 -13.41 25.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 74.23 54.45 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.1 mmm -118.91 159.22 24.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.8 p -131.33 137.88 48.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -129.42 154.88 46.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 92.1 p -79.76 -45.67 18.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -104.38 139.94 38.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.39 -46.07 77.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.4 m -44.64 -46.49 10.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.864 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.7 m -60.18 -41.75 93.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.426 HD13 ' CB ' ' A' ' 13' ' ' TRP . 3.9 tt -62.35 -58.07 9.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 28' ' ' LEU . 12.6 mtp180 -36.92 -49.36 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.5 mt -64.42 -42.73 95.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.449 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 8.6 t60 -53.96 -46.22 71.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -40.22 -26.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.958 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 31' ' ' HIS . 4.6 m-20 -56.9 -45.96 82.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.449 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 24.5 m -51.36 -19.75 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -97.38 -48.35 5.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 98.8 t -55.47 118.9 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -94.8 -68.55 1.04 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 60.64 43.43 12.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.893 0.378 . . . . 0.0 110.832 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.85 142.41 25.18 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.602 0.715 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -177.37 1.83 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.386 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 99.8 p -46.63 -45.61 19.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 125.38 116.66 2.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.48 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -3.99 13.16 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.647 2.231 . . . . 0.0 112.35 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.1 t -64.53 -59.25 4.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 34.6 t -156.84 125.54 5.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.873 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.498 -179.954 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.4 p -130.71 157.13 43.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.899 0.381 . . . . 0.0 110.839 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -129.52 95.07 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.91 110.84 3.4 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.473 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 6' ' ' SER . 25.1 t -76.57 156.02 33.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.873 0.368 . . . . 0.0 110.827 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 5' ' ' SER . 80.5 p 36.24 46.43 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.904 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.55 35.24 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.441 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.9 ptt? -127.79 -34.27 2.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.819 0.342 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.25 86.42 1.88 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.452 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -98.75 48.88 0.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.898 0.38 . . . . 0.0 110.907 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.5 pttm -66.68 147.0 53.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.434 ' O ' ' CE3' ' A' ' 13' ' ' TRP . 1.7 t -175.35 145.99 0.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.434 ' CE3' ' O ' ' A' ' 12' ' ' THR . 21.9 m95 -135.04 85.85 2.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -68.26 153.72 43.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -91.23 -177.1 4.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 79.2 mtt-85 -105.01 -59.59 1.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.9 mp0 -63.07 -71.26 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.9 p -75.32 -25.06 57.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.7 t70 65.8 37.18 5.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.563 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 2.7 tmm? -85.61 145.72 27.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.2 p -87.84 134.43 33.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 87.3 m-85 -130.15 120.42 24.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.5 t -62.02 -36.16 80.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -97.82 125.66 42.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.433 ' N ' ' CD1' ' A' ' 13' ' ' TRP . . . -65.18 -46.16 81.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.3 m -56.76 -42.42 79.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.852 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.0 t -57.8 -42.63 84.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.1 tp -62.84 -44.22 96.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.5 mtp85 -51.56 -47.0 63.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.0 mt -76.28 -43.91 39.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.465 ' CD2' ' CZ ' ' A' ' 22' ' ' PHE . 11.3 t60 -52.98 -18.4 1.96 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -84.04 23.83 0.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -99.27 -37.81 9.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 32.7 m -60.58 -39.47 81.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.181 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 66.1 m-70 -58.69 -41.65 86.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.81 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.2 p -83.49 126.02 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 174.47 -54.92 0.14 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.474 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -45.42 141.57 2.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.888 0.375 . . . . 0.0 110.921 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.3 pttm -88.27 147.94 41.43 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.617 0.722 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 164.43 34.59 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.692 2.262 . . . . 0.0 112.325 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -79.68 -49.31 12.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.831 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 178.11 92.93 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.514 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 126.11 12.95 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.653 2.235 . . . . 0.0 112.368 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.4 t -41.28 -56.51 2.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.3 p -96.21 137.61 35.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.112 -0.827 . . . . 0.0 112.501 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.8 t -131.8 142.59 49.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.863 0.364 . . . . 0.0 110.845 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -100.23 168.72 9.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.851 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.19 110.78 0.48 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.488 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.6 t -67.59 -53.78 25.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.889 0.375 . . . . 0.0 110.864 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.5 p -40.17 160.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.871 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.76 -63.95 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.499 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.39 -31.63 11.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.812 0.339 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.29 156.06 7.23 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.464 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -119.21 102.98 9.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.909 0.385 . . . . 0.0 110.864 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -71.94 116.69 12.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 t -175.52 146.86 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.118 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.461 ' CD1' ' C ' ' A' ' 24' ' ' GLN . 30.1 m95 -133.84 104.55 6.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.47 ' HD3' ' CB ' ' A' ' 21' ' ' CYS . 30.7 mmtt -84.9 168.11 15.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.1 t -109.56 172.86 6.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -106.8 -28.24 10.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.405 ' HG3' ' CB ' ' A' ' 35' ' ' HIS . 6.8 mm-40 -90.77 -67.41 0.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.443 ' O ' ' CG ' ' A' ' 19' ' ' ASP . 29.7 p -86.71 -3.66 59.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 18' ' ' CYS . 2.7 p30 50.35 36.26 12.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.486 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 17.1 tpp -84.36 142.94 29.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.47 ' CB ' ' HD3' ' A' ' 14' ' ' LYS . 17.8 p -97.56 140.53 31.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.486 ' CZ ' ' HG2' ' A' ' 20' ' ' MET . 95.5 m-85 -131.37 173.26 11.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.1 p -105.87 -42.74 5.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.461 ' C ' ' CD1' ' A' ' 13' ' ' TRP . 37.9 mt-30 -92.7 131.9 37.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.428 ' N ' ' NE1' ' A' ' 13' ' ' TRP . . . -64.63 -48.12 76.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.7 p -53.64 -25.29 17.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.412 ' O ' ' CB ' ' A' ' 31' ' ' HIS . 22.8 t -79.21 -47.49 15.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.854 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -68.64 -51.63 40.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 -47.61 -51.16 22.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 27.7 tp -75.07 -42.57 56.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.412 ' CB ' ' O ' ' A' ' 27' ' ' SER . 9.7 t60 -51.29 -17.41 0.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -82.68 17.93 1.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 54.1 m-20 -116.6 12.22 14.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.6 m -99.97 -27.8 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.405 ' CB ' ' HG3' ' A' ' 17' ' ' GLU . 52.1 m-70 -83.78 22.31 1.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 37' ' ' GLY . 9.9 p -91.32 -38.21 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 36' ' ' VAL . . . -34.37 -85.1 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -170.2 146.68 3.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.88 0.371 . . . . 0.0 110.918 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.411 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 19.7 ttmt -151.22 137.73 11.48 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.527 0.68 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.411 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.6 Cg_endo -69.74 169.08 19.72 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.339 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.455 ' O ' ' C ' ' A' ' 42' ' ' GLY . 2.9 m -47.51 135.23 11.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 41' ' ' SER . . . -32.9 96.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.453 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.431 ' N ' ' O ' ' A' ' 41' ' ' SER . 53.7 Cg_endo -69.74 -49.71 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.679 2.252 . . . . 0.0 112.39 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.8 m -104.5 -48.74 3.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.7 t -132.28 -55.62 0.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.873 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.495 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 t -111.17 131.83 54.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.845 0.355 . . . . 0.0 110.872 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.6 p -151.67 149.53 29.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.27 -142.94 16.35 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.472 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m 45.17 50.57 9.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.872 0.368 . . . . 0.0 110.849 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -113.58 144.08 43.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.82 137.17 2.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.46 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -112.91 160.84 17.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.911 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -158.52 -69.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.521 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -49.1 128.69 16.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 71.6 tttt -74.37 133.38 42.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.0 t -175.89 147.14 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.16 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.565 ' CD1' ' HA ' ' A' ' 25' ' ' ALA . 31.4 m95 -133.48 105.24 6.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.8 mttt -86.63 162.99 17.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.4 t -101.33 169.0 9.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.412 ' HG3' ' CD ' ' A' ' 17' ' ' GLU . 5.3 ptm180 -99.97 -24.31 14.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.412 ' CD ' ' HG3' ' A' ' 16' ' ' ARG . 30.8 mp0 -96.8 -73.26 0.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.463 ' C ' ' CG ' ' A' ' 19' ' ' ASP . 30.6 p -77.37 -5.76 50.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.463 ' CG ' ' C ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER 49.02 39.3 14.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 19.4 tpp -86.94 139.08 30.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 33.3 m -92.01 137.09 32.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -126.66 179.17 5.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.3 p -113.59 -42.19 3.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.811 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -94.86 127.71 41.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.565 ' HA ' ' CD1' ' A' ' 13' ' ' TRP . . . -61.88 -43.88 97.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.7 t -57.66 -30.45 65.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.8 m -75.83 -45.29 36.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -67.34 -51.19 55.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 53.7 mtt-85 -50.43 -52.59 36.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.1 tp -71.51 -32.08 67.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 24.6 t60 -62.67 -20.03 64.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -84.28 25.47 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -105.19 -28.89 10.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.4 m -66.43 -37.59 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 -71.15 -57.31 4.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.1 p -61.0 125.24 16.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 171.93 -112.55 0.45 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.526 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 39' ' ' LYS . 5.4 tp10 63.34 38.1 10.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.879 0.371 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 38' ' ' GLU . 10.0 tmtt? -36.36 122.83 0.75 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.557 0.694 . . . . 0.0 110.928 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 122.33 9.01 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.7 2.267 . . . . 0.0 112.338 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 42' ' ' GLY . 86.0 p -65.88 -36.53 83.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 41' ' ' SER . . . -36.21 -72.2 0.15 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.503 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 162.41 42.19 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.697 2.265 . . . . 0.0 112.314 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.7 m -78.53 164.17 24.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 47.2 t -92.46 149.94 21.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.536 -179.919 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.9 p 41.06 42.13 1.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.824 0.345 . . . . 0.0 110.849 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 t -154.97 113.85 3.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.1 102.54 0.16 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.3 m -127.82 128.56 45.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.835 0.35 . . . . 0.0 110.843 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.6 t -48.0 -53.19 17.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.27 166.68 10.75 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.1 ptt? -67.16 -45.47 76.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.349 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 74.07 -107.93 2.38 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.545 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -83.38 127.31 33.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.949 0.404 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.9 pttp -44.16 135.22 4.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.6 p -144.24 120.0 10.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.178 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.411 ' CE2' ' HB2' ' A' ' 25' ' ' ALA . 16.3 m95 -126.11 94.14 4.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.438 ' CB ' ' HA ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -114.1 163.47 15.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -83.04 -178.53 7.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -102.51 -54.14 2.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -64.54 -70.82 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 19' ' ' ASP . 24.7 p -68.26 -13.77 62.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.421 ' CG ' ' O ' ' A' ' 18' ' ' CYS . 1.4 p30 51.36 25.17 2.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.57 ' HE1' ' CE2' ' A' ' 22' ' ' PHE . 3.6 tmm? -81.25 135.02 35.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.438 ' HA ' ' CB ' ' A' ' 14' ' ' LYS . 7.1 t -86.37 147.69 25.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.57 ' CE2' ' HE1' ' A' ' 20' ' ' MET . 75.6 m-85 -130.92 124.45 31.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.7 p -53.16 -41.84 65.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -97.43 150.41 21.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.411 ' HB2' ' CE2' ' A' ' 13' ' ' TRP . . . -82.11 -47.5 12.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 t -57.2 -46.29 83.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.0 t -54.94 -36.56 65.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.9 tp -64.31 -46.07 85.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.6 mtt85 -55.91 -50.59 70.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.0 tp -64.15 -50.58 67.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 32' ' ' GLN . 5.7 t60 -42.89 -51.05 5.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 31' ' ' HIS . 56.2 mt-30 -34.5 -36.47 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 31' ' ' HIS . 68.1 m-20 -44.62 -51.77 8.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.5 m -38.03 -38.1 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 36' ' ' VAL . 63.5 m-70 -75.9 -52.65 9.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.842 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 35' ' ' HIS . 97.0 t -36.8 -46.43 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.68 -150.59 9.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -99.24 177.48 5.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.366 . . . . 0.0 110.892 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.3 mtmp? -82.87 119.49 74.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.611 0.719 . . . . 0.0 110.956 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -176.1 1.37 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.66 2.24 . . . . 0.0 112.356 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 m -93.64 29.03 2.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.89 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.06 -78.37 0.8 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.472 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 123.23 9.89 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.707 2.271 . . . . 0.0 112.349 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.3 m -60.05 144.83 48.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 43.3 t -53.82 156.28 2.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.826 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.52 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 t -117.32 128.62 55.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.922 0.392 . . . . 0.0 110.852 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t -46.17 170.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.797 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.5 -165.34 39.34 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.478 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.3 p -148.93 153.65 38.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.859 0.362 . . . . 0.0 110.816 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -94.86 82.33 3.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.51 97.12 0.11 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.493 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.5 ptp -115.84 41.52 2.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.894 0.378 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 75.56 118.22 0.12 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.522 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -89.03 129.95 35.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.949 0.404 . . . . 0.0 110.885 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -79.14 134.48 36.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.565 ' O ' ' CE3' ' A' ' 13' ' ' TRP . 2.2 t -175.13 146.9 0.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.189 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.565 ' CE3' ' O ' ' A' ' 12' ' ' THR . 17.2 m95 -137.82 105.56 5.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.958 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -82.76 146.23 29.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.0 t -76.57 178.77 6.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -97.62 -36.3 10.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.516 ' CG ' ' N ' ' A' ' 18' ' ' CYS . 1.4 tt0 -93.97 -73.3 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.516 ' N ' ' CG ' ' A' ' 17' ' ' GLU . 24.7 p -69.95 -9.36 54.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.453 ' CG ' ' O ' ' A' ' 18' ' ' CYS . 2.3 p30 50.67 30.53 4.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.449 ' HE1' ' CZ ' ' A' ' 22' ' ' PHE . 8.7 ttp -74.29 134.73 42.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.4 p -86.08 138.61 31.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.834 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.515 ' CD1' HD12 ' A' ' 28' ' ' LEU . 36.5 m-85 -121.68 -175.79 3.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.6 m -111.97 -43.32 3.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.417 ' C ' ' CD1' ' A' ' 13' ' ' TRP . 42.7 mt-30 -109.21 130.06 55.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.562 ' N ' ' NE1' ' A' ' 13' ' ' TRP . . . -52.55 -50.01 63.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.158 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.3 m -51.43 -45.69 62.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.7 m -57.41 -45.62 84.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.515 HD12 ' CD1' ' A' ' 22' ' ' PHE . 10.3 tp -66.22 -50.12 64.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -47.02 -49.54 20.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 67.1 mt -71.32 -38.08 71.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.456 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 22.1 t60 -61.15 -16.15 41.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -82.76 18.83 1.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -97.84 -30.36 12.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.461 HG21 ' CE1' ' A' ' 35' ' ' HIS . 19.1 m -61.2 -33.56 56.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.461 ' CE1' HG21 ' A' ' 34' ' ' VAL . 17.2 m-70 -88.28 35.33 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 84.9 t -121.98 -42.09 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.2 66.18 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -121.64 -35.95 3.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.907 0.384 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm -102.47 144.76 29.25 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.556 0.693 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 165.63 30.27 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.386 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.4 t -86.81 115.12 24.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 39.85 67.94 0.6 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.465 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -174.57 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.662 2.242 . . . . 0.0 112.327 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.7 p 43.41 42.44 3.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.1 m -60.91 157.93 14.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-O 119.202 -0.776 . . . . 0.0 112.484 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.4 m -127.5 140.87 51.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 0.0 110.877 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.0 m -113.94 135.95 53.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.53 -27.68 1.34 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.479 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.8 t -89.03 51.32 2.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 0.0 110.843 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.8 p -76.47 142.22 41.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.3 169.68 30.27 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.3 tmm? -95.15 -62.02 1.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.773 0.321 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 156.27 154.95 7.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.506 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.32 148.34 41.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.933 0.397 . . . . 0.0 110.86 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -69.14 85.07 0.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 p -154.33 105.55 2.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.18 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.679 ' CD1' ' N ' ' A' ' 25' ' ' ALA . 5.1 m95 -109.25 108.0 18.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.0 129.23 46.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.409 ' SG ' ' NE2' ' A' ' 32' ' ' GLN . 15.4 t -53.59 165.91 0.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -99.93 -36.73 9.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -70.64 -73.14 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.451 ' O ' ' CG ' ' A' ' 19' ' ' ASP . 27.1 p -71.02 -5.66 32.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 18' ' ' CYS . 2.0 p30 51.36 26.11 2.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.511 ' HE2' ' CE2' ' A' ' 22' ' ' PHE . 1.2 ttp -83.3 142.09 31.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.2 p -100.16 148.22 24.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.511 ' CE2' ' HE2' ' A' ' 20' ' ' MET . 96.0 m-85 -127.52 178.65 5.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 87.1 p -105.61 -41.61 5.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -112.52 121.13 43.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.679 ' N ' ' CD1' ' A' ' 13' ' ' TRP . . . -50.06 -45.73 52.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.6 p -50.2 -44.4 53.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.5 t -60.75 -37.7 82.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 tt -65.99 -51.5 57.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.7 mmm-85 -43.47 -48.28 7.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.38 -35.11 70.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -61.08 -15.8 36.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.409 ' NE2' ' SG ' ' A' ' 15' ' ' CYS . 34.7 mm-40 -83.32 20.21 1.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.7 m-20 -95.75 -17.74 20.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.1 m -84.78 -31.86 7.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.442 ' O ' ' C ' ' A' ' 36' ' ' VAL . 95.4 m-70 -78.08 -65.23 1.0 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 35' ' ' HIS . 7.1 p -34.67 125.19 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.7 135.34 6.89 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.44 170.31 8.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.91 0.386 . . . . 0.0 110.876 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.5 mttt -143.08 147.97 43.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.563 0.697 . . . . 0.0 110.916 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 171.93 13.56 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.694 2.262 . . . . 0.0 112.352 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.1 p -84.42 52.09 2.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.409 ' HA2' ' HD2' ' A' ' 43' ' ' PRO . . . 67.79 107.51 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.409 ' HD2' ' HA2' ' A' ' 42' ' ' GLY . 53.7 Cg_endo -69.8 176.06 7.3 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.697 2.265 . . . . 0.0 112.359 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.0 t -77.69 129.92 36.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 52.3 m -101.26 -57.9 1.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.847 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.181 -0.788 . . . . 0.0 112.475 -179.979 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -86.91 -46.21 10.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.897 0.379 . . . . 0.0 110.877 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.7 m 45.33 42.21 7.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.812 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.18 157.04 23.09 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 m -118.37 -46.05 2.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.858 0.361 . . . . 0.0 110.84 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.7 t -148.88 114.42 5.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.79 -108.33 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.508 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.9 ttp -44.96 -59.69 2.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.844 0.354 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 171.11 178.06 41.36 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.48 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -138.95 151.33 46.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.91 0.386 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.6 tttp -138.15 105.96 5.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 p -153.35 110.66 3.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.121 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 33.2 m95 -110.14 79.72 1.24 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.31 147.97 28.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.6 t -75.29 147.24 40.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.4 ptt85 -108.17 31.61 5.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -135.0 -52.97 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -91.37 -13.45 32.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.2 t0 74.67 42.0 0.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.85 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 47.8 mtp -110.86 160.75 16.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.2 p -121.77 144.63 48.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.546 ' CD1' HD12 ' A' ' 28' ' ' LEU . 87.0 m-85 -139.09 150.05 45.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.9 m -108.64 27.86 8.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.819 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -151.56 109.68 3.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.969 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.55 -47.93 48.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -59.75 -44.59 93.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.7 t -58.54 -43.52 89.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.546 HD12 ' CD1' ' A' ' 22' ' ' PHE . 5.5 tp -71.28 -34.12 70.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -60.78 -34.04 73.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.6 mp -86.27 -40.14 15.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -64.51 -45.0 89.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -52.8 -15.89 0.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -80.83 14.82 2.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.461 HG23 ' CD2' ' A' ' 35' ' ' HIS . 16.4 m -98.66 -18.59 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.461 ' CD2' HG23 ' A' ' 34' ' ' VAL . 14.7 m-70 -106.48 30.74 5.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.3 p -152.07 145.48 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -44.38 135.14 6.32 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.473 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.473 ' CD ' ' C ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -80.67 44.52 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.927 0.394 . . . . 0.0 110.893 -179.885 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -92.38 109.38 37.72 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.602 0.715 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 153.42 68.7 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.671 2.247 . . . . 0.0 112.312 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.6 p -99.06 83.74 2.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.827 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 68.62 63.1 3.69 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.474 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -31.6 20.35 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.695 2.263 . . . . 0.0 112.37 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 83.7 p -113.81 172.14 7.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.5 m -78.98 137.2 37.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.152 -0.805 . . . . 0.0 112.496 -179.925 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.3 p -134.06 164.05 28.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.851 0.358 . . . . 0.0 110.874 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.8 m -62.51 148.58 45.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.42 -150.05 16.0 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 t -86.47 111.7 20.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.87 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.7 m -117.85 97.38 5.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.1 91.53 0.33 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.1 ptm -102.05 137.09 40.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.742 0.306 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.67 120.36 5.13 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.498 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -104.99 175.1 5.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.911 0.386 . . . . 0.0 110.9 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -64.48 81.35 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.4 p -133.57 98.57 4.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.171 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.514 ' CD1' ' N ' ' A' ' 25' ' ' ALA . 32.7 m95 -104.95 78.56 1.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.8 157.06 23.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.7 t -117.79 115.8 25.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -87.51 34.09 0.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.414 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 67.7 mm-40 -127.94 -31.04 2.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -127.44 -9.03 5.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.8 t70 69.58 54.06 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 12.7 mmm -132.93 123.32 25.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.0 m -84.09 137.53 33.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -129.53 114.13 15.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.9 m -85.21 16.32 3.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -136.05 109.75 8.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.514 ' N ' ' CD1' ' A' ' 13' ' ' TRP . . . -49.83 -42.2 46.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.7 m -63.13 -40.71 98.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 t -62.67 -43.51 98.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.465 ' CD2' ' HB3' ' A' ' 13' ' ' TRP . 5.0 tp -68.91 -49.13 60.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -50.67 -44.19 57.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.7 tp -74.28 -45.06 50.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -55.97 -34.24 65.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -55.92 -13.72 2.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -84.71 20.79 1.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.1 m -115.33 -35.06 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.414 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 77.7 m-70 -74.87 -18.15 60.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.9 p -91.4 16.8 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.77 -43.52 83.8 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.43 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 39' ' ' LYS . 17.4 tt0 -72.72 165.66 24.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.964 0.411 . . . . 0.0 110.882 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 38' ' ' GLU . 36.9 mmtm -35.63 124.05 0.65 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.596 0.712 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 148.64 65.84 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.697 2.265 . . . . 0.0 112.359 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.5 m -87.1 41.0 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -108.77 -81.52 1.32 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.472 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 132.33 23.13 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.671 2.248 . . . . 0.0 112.351 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 54.0 p 50.08 38.83 17.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.5 m -115.28 133.27 56.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.824 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.166 -0.797 . . . . 0.0 112.505 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 t -86.96 158.36 19.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.855 0.36 . . . . 0.0 110.896 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.5 p -149.65 168.67 22.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.846 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.37 116.12 1.17 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.3 t -169.97 114.8 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 0.0 110.856 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.2 t -71.87 -57.87 3.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.863 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.29 -119.51 4.6 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 39.1 mtt -106.79 -57.91 2.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -135.92 151.44 20.7 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.536 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.4 mp0 -131.4 92.59 3.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.392 . . . . 0.0 110.849 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.455 ' HD3' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -45.0 135.3 5.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.2 p -160.55 107.07 1.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.605 ' CD1' ' N ' ' A' ' 25' ' ' ALA . 12.5 m95 -111.78 53.74 0.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.436 ' CB ' ' HA ' ' A' ' 21' ' ' CYS . 9.5 pttm -82.37 162.56 22.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.4 t -102.25 122.15 43.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.851 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.0 mtp85 -84.49 20.13 1.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 18' ' ' CYS . 1.9 tp10 -115.98 -55.76 2.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.46 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 17.1 p -95.14 -11.63 27.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.2 t0 71.76 45.1 0.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 35.0 mtm -120.44 114.6 22.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.436 ' HA ' ' CB ' ' A' ' 14' ' ' LYS . 3.4 m -79.24 139.02 38.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.448 ' CD2' HD12 ' A' ' 28' ' ' LEU . 96.0 m-85 -126.98 121.05 30.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 t -86.55 32.92 0.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -158.66 111.4 2.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.605 ' N ' ' CD1' ' A' ' 13' ' ' TRP . . . -50.35 -56.31 11.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.7 t -54.2 -43.32 70.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.801 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.3 m -56.18 -47.42 78.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.448 HD12 ' CD2' ' A' ' 22' ' ' PHE . 19.6 tp -63.14 -48.67 77.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.924 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -42.43 -45.59 4.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.51 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 10.6 mp -72.74 -50.1 26.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -49.31 -45.07 44.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -48.98 -21.53 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.51 ' ND2' ' O ' ' A' ' 30' ' ' LEU . 19.7 p30 -61.02 -9.15 3.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.401 HG21 ' CD2' ' A' ' 35' ' ' HIS . 18.2 m -87.33 -17.61 8.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.082 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.401 ' CD2' HG21 ' A' ' 34' ' ' VAL . 81.0 m-70 -109.07 38.33 2.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.1 p -131.73 106.64 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.93 69.88 1.26 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.47 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -86.14 -31.78 21.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.89 0.376 . . . . 0.0 110.878 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -112.47 82.24 4.6 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.59 0.709 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 117.12 4.9 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.641 2.227 . . . . 0.0 112.354 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.4 m -54.91 93.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.09 84.26 0.17 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.468 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 2.63 3.38 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.661 2.241 . . . . 0.0 112.328 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.7 t 65.24 41.55 4.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.841 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 93.1 p -68.87 -28.76 66.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.875 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.496 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m 39.55 42.04 0.84 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.885 0.374 . . . . 0.0 110.869 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.2 p -104.73 174.07 6.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.14 62.55 0.11 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.0 m -113.54 82.97 1.77 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.88 0.371 . . . . 0.0 110.895 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.1 t -120.26 79.44 1.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.41 39.97 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.509 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.86 171.25 14.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.801 0.334 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -179.19 110.94 0.3 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.456 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -66.64 136.15 55.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.928 0.394 . . . . 0.0 110.889 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.495 ' HE2' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -63.31 144.92 56.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.478 ' CG2' ' O ' ' A' ' 11' ' ' LYS . 1.2 p -171.76 122.45 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.184 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.418 ' CD1' ' N ' ' A' ' 25' ' ' ALA . 25.5 m95 -120.91 55.91 1.03 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -71.24 163.48 27.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -93.63 133.23 37.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.8 mmt-85 -85.8 21.75 1.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -127.64 -64.08 0.99 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.7 p -93.22 -15.87 25.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.6 t70 74.44 45.94 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 79.8 mtp -103.69 122.46 45.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.0 p -74.6 132.71 42.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.843 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.488 ' CD1' HD12 ' A' ' 28' ' ' LEU . 95.3 m-85 -127.85 124.71 38.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.5 m -85.62 29.3 0.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -156.79 105.38 2.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.418 ' N ' ' CD1' ' A' ' 13' ' ' TRP . . . -42.02 -53.82 3.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.2 m -54.46 -48.87 71.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.3 m -50.1 -42.68 50.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.488 HD12 ' CD1' ' A' ' 22' ' ' PHE . 21.2 tp -72.14 -45.66 59.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -48.58 -51.65 26.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.4 tp -70.38 -40.41 73.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.485 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 28.3 t60 -74.82 -4.39 37.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -86.17 -39.46 16.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.39 -37.14 84.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.402 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 28.7 m -39.76 -40.28 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -76.71 -51.13 12.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.823 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 99.8 t -68.4 113.34 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.1 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 154.07 121.51 0.81 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.47 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -156.77 138.03 13.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.916 0.389 . . . . 0.0 110.873 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp -111.44 130.67 22.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.59 0.709 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 120.59 7.34 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.709 2.273 . . . . 0.0 112.289 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 m -83.53 27.81 0.59 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.64 -80.18 1.09 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.447 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.473 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.8 Cg_endo -69.73 80.04 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.657 2.238 . . . . 0.0 112.344 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 43' ' ' PRO . 56.2 m 32.67 49.57 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 44' ' ' SER . 44.5 t 33.49 51.92 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.491 -179.973 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.7 t -165.25 136.28 3.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.872 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.2 p -90.05 124.5 34.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.87 76.92 0.41 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.503 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.6 t -84.71 146.48 27.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.868 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.2 p -108.3 -46.75 3.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.827 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.24 -59.0 0.69 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.528 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.8 ptm -80.16 161.92 24.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.342 . . . . 0.0 110.928 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -58.72 -156.91 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.464 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 11' ' ' LYS . 9.1 tp10 -104.87 31.61 4.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.895 0.378 . . . . 0.0 110.879 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 10' ' ' GLU . 65.1 tttt 34.47 44.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.2 p -138.92 117.43 12.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.202 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 23.0 m95 -124.93 84.08 2.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -87.82 160.52 17.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.9 t -103.86 127.34 51.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -84.37 31.86 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -132.45 -42.37 0.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.9 p -125.28 -11.04 6.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 40.3 t0 71.58 54.39 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 64.3 mtp -112.22 124.84 53.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.0 m -83.35 142.67 30.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -135.26 134.83 40.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.5 m -71.86 -37.77 70.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.2 mp0 -99.82 149.07 23.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.73 -53.62 7.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.3 m -51.38 -45.38 62.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.5 m -54.35 -42.38 70.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.837 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.2 tp -67.22 -56.87 8.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.3 mtp85 -40.6 -50.86 3.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.01 -42.23 73.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -52.44 -21.96 4.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.85 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -84.57 26.82 0.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -97.31 -34.26 11.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.1 m -63.4 -38.02 81.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -72.53 -62.55 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.811 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.0 p -60.23 -25.21 32.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 38' ' ' GLU . . . -43.28 -72.86 0.28 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.459 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 37' ' ' GLY . 3.2 pt-20 -36.83 124.97 0.88 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.924 0.393 . . . . 0.0 110.877 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.76 113.82 14.86 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.599 0.714 . . . . 0.0 110.85 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 -172.59 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.695 2.263 . . . . 0.0 112.345 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -108.4 42.13 1.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -125.17 -108.91 1.73 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.505 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 130.99 20.28 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.673 2.249 . . . . 0.0 112.337 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.1 p -160.71 131.58 5.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.3 p -91.19 85.01 5.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.82 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.471 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.8 p . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.765 0.317 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.772 ' CE2' ' HB2' ' A' ' 25' ' ' ALA . 34.0 m95 -106.32 77.9 1.25 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -81.65 156.21 25.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -75.59 -178.57 4.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -94.48 -62.44 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -73.67 -69.12 0.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.446 ' O ' ' CG ' ' A' ' 19' ' ' ASP . 8.7 p -68.32 -19.37 64.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.446 ' CG ' ' O ' ' A' ' 18' ' ' CYS . 4.4 p-10 48.84 49.67 18.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.528 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 63.3 mtp -89.99 129.12 36.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.0 m -69.5 133.8 48.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.804 ' CD2' HD13 ' A' ' 28' ' ' LEU . 99.7 m-85 -133.3 97.19 3.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 22' ' ' PHE . 23.9 p -34.42 -41.51 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -99.53 125.52 45.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.949 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.772 ' HB2' ' CE2' ' A' ' 13' ' ' TRP . . . -62.71 -43.39 98.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.3 m -57.13 -56.64 19.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.4 m -43.17 -43.75 4.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.804 HD13 ' CD2' ' A' ' 22' ' ' PHE . 14.2 tp -64.11 -46.35 84.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 -45.26 -44.27 11.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.444 ' O ' ' CG ' ' A' ' 33' ' ' ASN . 4.1 mm? -76.82 -41.02 45.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 33' ' ' ASN . 7.1 t60 -53.51 -48.9 68.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 31' ' ' HIS . 43.8 mt-30 -37.75 -27.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' HIS . 40.6 m-20 -52.86 -48.23 67.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.5 m -40.13 -27.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 33' ' ' ASN . 97.6 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.0 p . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.76 0.314 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.609 ' CD1' ' N ' ' A' ' 25' ' ' ALA . 28.9 m95 -111.81 87.39 2.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.941 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -87.75 153.49 21.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.9 t -83.58 179.48 7.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -101.83 -52.75 3.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -73.55 -73.57 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.411 ' O ' ' CG ' ' A' ' 19' ' ' ASP . 14.9 p -70.93 -11.1 60.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.411 ' CG ' ' O ' ' A' ' 18' ' ' CYS . 6.0 p-10 46.34 46.85 13.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.415 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 4.2 tpp -93.7 142.59 27.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.0 m -85.68 140.1 30.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.461 ' CD1' HD13 ' A' ' 28' ' ' LEU . 95.7 m-85 -136.25 131.58 34.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.7 m -84.53 36.48 0.59 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -165.76 106.25 0.72 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.609 ' N ' ' CD1' ' A' ' 13' ' ' TRP . . . -45.7 -53.25 9.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.082 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 76.4 p -58.55 -43.44 89.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.894 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.7 t -55.02 -42.24 72.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.814 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.461 HD13 ' CD1' ' A' ' 22' ' ' PHE . 43.2 tp -68.83 -46.59 68.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.6 mtp85 -52.59 -48.34 66.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.417 ' O ' ' CG ' ' A' ' 33' ' ' ASN . 96.5 mt -68.62 -47.79 65.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.74 ' O ' HG22 ' A' ' 34' ' ' VAL . 10.0 t60 -46.25 -51.9 13.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -41.76 -28.56 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.417 ' CG ' ' O ' ' A' ' 30' ' ' LEU . 65.9 m-20 -48.16 -43.58 31.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.74 HG22 ' O ' ' A' ' 31' ' ' HIS . 33.4 m -56.35 -36.17 45.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.969 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.6 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.758 0.313 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.603 ' HB3' HD22 ' A' ' 28' ' ' LEU . 22.9 m95 -111.77 84.97 2.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -85.65 156.55 20.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.3 t -92.86 128.68 38.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.65 16.56 1.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.55 ' OE1' ' CG ' ' A' ' 35' ' ' HIS . 54.1 mt-10 -119.41 -54.74 2.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.7 p -105.55 -10.52 16.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.2 t0 67.1 43.16 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 38.8 mtm -105.68 137.86 42.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.2 m -85.8 148.76 25.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.463 ' CD1' HD13 ' A' ' 28' ' ' LEU . 16.9 m-85 -136.33 112.03 9.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.7 m -48.03 -39.67 20.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.859 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -108.09 143.0 37.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.523 ' HB2' ' CE2' ' A' ' 13' ' ' TRP . . . -73.01 -45.25 58.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 84.4 p -51.84 -49.72 62.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.816 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.4 t -52.68 -43.2 65.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.603 HD22 ' HB3' ' A' ' 13' ' ' TRP . 20.3 tp -61.17 -49.98 75.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -46.72 -45.1 19.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.401 ' C ' ' N ' ' A' ' 32' ' ' GLN . 9.3 mt -73.93 -49.48 24.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.469 ' O ' HG22 ' A' ' 34' ' ' VAL . 2.9 t-80 -46.84 -20.18 0.13 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.401 ' N ' ' C ' ' A' ' 30' ' ' LEU . 81.9 mt-30 -82.73 24.62 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -115.53 7.66 14.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 31' ' ' HIS . 33.3 m -110.01 -29.3 2.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.171 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.55 ' CG ' ' OE1' ' A' ' 17' ' ' GLU . 35.0 m80 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.6 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.782 0.325 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.835 ' NE1' ' HB2' ' A' ' 25' ' ' ALA . 32.4 m95 -121.25 91.64 3.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.8 133.86 35.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.562 ' HA ' HD11 ' A' ' 28' ' ' LEU . 1.8 t -56.59 -176.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.803 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -113.77 -12.12 12.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.853 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -113.69 -73.1 0.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.0 p -75.96 -13.28 60.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.42 35.39 12.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.575 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 15.5 ttm -77.36 154.95 32.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.0 p -98.66 137.3 37.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.807 ' CD1' HD13 ' A' ' 28' ' ' LEU . 50.8 m-85 -135.45 128.13 30.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 m -70.01 -38.96 76.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.436 ' CD ' ' HB2' ' A' ' 27' ' ' SER . 2.4 pt20 -96.7 95.44 7.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.835 ' HB2' ' NE1' ' A' ' 13' ' ' TRP . . . -41.6 -30.22 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.096 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.7 p -67.73 -48.1 67.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.436 ' HB2' ' CD ' ' A' ' 24' ' ' GLN . 13.7 t -54.62 -45.53 73.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.807 HD13 ' CD1' ' A' ' 22' ' ' PHE . 15.6 tp -53.19 -56.43 16.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.4 mtt180 -41.76 -46.5 3.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.6 tp -74.18 -40.5 62.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.819 ' O ' HG22 ' A' ' 34' ' ' VAL . 20.6 t60 -48.61 -49.87 35.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 31' ' ' HIS . 12.9 mt-30 -34.74 -35.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 31' ' ' HIS . 4.2 m120 -45.53 -51.66 11.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.819 HG22 ' O ' ' A' ' 31' ' ' HIS . 27.7 m -40.57 -29.76 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 37.8 m-70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.945 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.7 p . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.768 0.318 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 22.5 m95 -111.07 84.96 2.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.947 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -80.33 173.95 12.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.5 t -113.74 125.11 53.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -84.41 27.91 0.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -130.76 -47.63 1.04 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -112.78 -7.97 13.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 59.1 t0 67.31 39.4 3.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.59 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 11.8 tpp -102.02 148.93 24.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.44 ' N ' ' HG3' ' A' ' 20' ' ' MET . 80.4 m -96.16 133.79 40.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.59 ' CZ ' ' HG2' ' A' ' 20' ' ' MET . 97.5 m-85 -131.5 119.36 21.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.1 m -83.08 20.36 1.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -145.3 113.92 6.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.2 -52.8 50.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.082 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.2 p -57.46 -43.54 84.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.5 m -55.2 -53.07 60.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.815 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.7 tp -52.62 -47.98 66.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -61.98 -45.04 95.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.443 ' O ' ' CG ' ' A' ' 33' ' ' ASN . 28.9 tp -68.43 -18.57 64.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.791 ' O ' HG22 ' A' ' 34' ' ' VAL . 6.7 t60 -86.16 -40.68 15.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -51.32 -24.69 4.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.455 ' OD1' HG13 ' A' ' 34' ' ' VAL . 47.6 p30 -55.44 -19.8 10.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.791 HG22 ' O ' ' A' ' 31' ' ' HIS . 19.2 m -81.68 -24.79 9.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 55.4 m-70 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.946 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.2 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.818 0.342 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.602 ' HB3' HD22 ' A' ' 28' ' ' LEU . 38.0 m95 -108.24 92.37 4.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.3 mmmm -88.35 161.92 16.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.888 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -90.55 -178.69 5.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.2 mtm-85 -100.6 -55.87 2.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -72.83 -73.82 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.445 ' C ' ' CG ' ' A' ' 19' ' ' ASP . 24.9 p -74.88 -10.26 59.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.445 ' CG ' ' C ' ' A' ' 18' ' ' CYS . 0.2 OUTLIER 48.5 44.22 20.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.534 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -79.72 140.68 36.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.5 p -86.44 136.38 33.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.534 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 93.5 m-85 -130.68 143.21 50.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.8 t -82.33 -35.27 28.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -106.27 128.11 53.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.14 -48.71 80.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.1 m -50.75 -45.11 58.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.837 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 34.0 t -58.0 -40.74 81.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.817 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.602 HD22 ' HB3' ' A' ' 13' ' ' TRP . 6.0 tp -64.25 -55.3 22.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.8 mtm105 -47.85 -43.17 28.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.401 HD23 ' N ' ' A' ' 31' ' ' HIS . 0.3 OUTLIER -75.56 -34.82 60.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.641 ' O ' HG22 ' A' ' 34' ' ' VAL . 23.0 t60 -69.16 -21.03 64.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -83.98 23.25 1.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.931 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -121.56 -3.36 9.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.641 HG22 ' O ' ' A' ' 31' ' ' HIS . 29.9 m -87.09 -29.54 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.141 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 64.8 m80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.927 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.0 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.798 0.332 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.48 ' CD1' ' N ' ' A' ' 25' ' ' ALA . 25.2 m95 -116.77 79.99 1.41 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.485 ' CB ' ' HA ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -109.51 160.73 15.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.92 179.887 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.3 t -76.56 170.17 16.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.63 19.62 17.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -134.69 -58.9 0.81 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.6 p -85.24 -15.49 43.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.2 t70 64.15 46.08 3.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.421 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 78.1 mtp -106.62 110.32 22.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.485 ' HA ' ' CB ' ' A' ' 14' ' ' LYS . 14.1 t -73.5 144.22 46.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.839 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.549 ' CD1' HD13 ' A' ' 28' ' ' LEU . 88.7 m-85 -131.83 101.78 5.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 22' ' ' PHE . 2.7 t -34.25 -40.93 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.858 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -106.27 135.04 48.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.48 ' N ' ' CD1' ' A' ' 13' ' ' TRP . . . -65.51 -47.3 76.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.9 m -48.57 -48.44 38.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 38.1 m -53.71 -43.17 68.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.549 HD13 ' CD1' ' A' ' 22' ' ' PHE . 36.1 tp -65.41 -44.0 88.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 70.1 mtt180 -48.7 -46.93 41.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.5 mt -67.48 -40.01 85.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.718 ' O ' HG22 ' A' ' 34' ' ' VAL . 1.7 t-80 -61.84 -35.99 79.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.817 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -50.86 -18.1 0.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -84.54 25.86 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.718 HG22 ' O ' ' A' ' 31' ' ' HIS . 34.7 m -108.79 -37.06 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.181 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.925 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.4 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.733 0.301 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.569 ' CD1' ' N ' ' A' ' 25' ' ' ALA . 37.9 m95 -110.86 107.22 16.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.927 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.51 ' C ' HD11 ' A' ' 28' ' ' LEU . 19.4 mtpp -104.98 167.96 9.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -98.18 -179.39 4.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.404 ' HD3' ' C ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -111.26 -55.9 2.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -58.69 -67.46 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.5 p -79.85 -30.26 40.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.8 t0 73.49 34.92 0.92 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.2 ttp -77.49 167.65 21.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.3 m -120.53 134.74 55.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -128.84 174.85 9.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.9 p -98.13 -45.24 6.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -107.46 138.96 42.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.952 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.569 ' N ' ' CD1' ' A' ' 13' ' ' TRP . . . -65.49 -50.62 64.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.5 p -43.39 -43.34 5.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.1 m -63.42 -43.29 97.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.523 HD22 HH12 ' A' ' 29' ' ' ARG . 5.2 tt -62.33 -51.94 65.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.523 HH12 HD22 ' A' ' 28' ' ' LEU . 17.9 mmt-85 -43.19 -48.8 6.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 tt -70.33 -48.62 55.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.487 ' O ' ' N ' ' A' ' 33' ' ' ASN . 5.0 t60 -46.66 -49.61 18.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.423 ' HG3' HD23 ' A' ' 28' ' ' LEU . 46.8 mt-30 -38.92 -26.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 31' ' ' HIS . 73.5 m-20 -49.2 -47.69 45.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.6 m -40.38 -28.22 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.151 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.826 179.923 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.765 0.316 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.481 ' O ' HD12 ' A' ' 28' ' ' LEU . 20.2 m95 -118.46 98.65 6.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.6 ptmm? -117.81 160.77 20.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.45 ' SG ' ' CD ' ' A' ' 17' ' ' GLU . 43.8 t -97.21 131.71 43.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.411 ' N ' ' OE1' ' A' ' 17' ' ' GLU . 13.4 mmt85 -90.92 32.73 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.829 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.45 ' CD ' ' SG ' ' A' ' 15' ' ' CYS . 1.8 mp0 -131.21 -57.12 1.02 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.6 p -94.7 -13.41 25.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 74.23 54.45 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.1 mmm -118.91 159.22 24.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.8 p -131.33 137.88 48.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -129.42 154.88 46.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 92.1 p -79.76 -45.67 18.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -104.38 139.94 38.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.39 -46.07 77.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.4 m -44.64 -46.49 10.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.864 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.7 m -60.18 -41.75 93.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 13' ' ' TRP . 3.9 tt -62.35 -58.07 9.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 28' ' ' LEU . 12.6 mtp180 -36.92 -49.36 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.5 mt -64.42 -42.73 95.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.987 ' O ' HG22 ' A' ' 34' ' ' VAL . 8.6 t60 -53.96 -46.22 71.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -40.22 -26.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.958 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 31' ' ' HIS . 4.6 m-20 -56.9 -45.96 82.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.987 HG22 ' O ' ' A' ' 31' ' ' HIS . 24.5 m -51.36 -19.75 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.868 179.942 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.434 ' O ' ' CE3' ' A' ' 13' ' ' TRP . 1.7 t . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.768 0.318 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.434 ' CE3' ' O ' ' A' ' 12' ' ' THR . 21.9 m95 -135.04 85.85 2.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -68.26 153.72 43.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -91.23 -177.1 4.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 79.2 mtt-85 -105.01 -59.59 1.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.9 mp0 -63.07 -71.26 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.9 p -75.32 -25.06 57.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.7 t70 65.8 37.18 5.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.572 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 2.7 tmm? -85.61 145.72 27.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.2 p -87.84 134.43 33.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.572 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 87.3 m-85 -130.15 120.42 24.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.5 t -62.02 -36.16 80.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -97.82 125.66 42.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.433 ' N ' ' CD1' ' A' ' 13' ' ' TRP . . . -65.18 -46.16 81.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.3 m -56.76 -42.42 79.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.852 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.0 t -57.8 -42.63 84.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.409 HD13 ' CD1' ' A' ' 22' ' ' PHE . 12.1 tp -62.84 -44.22 96.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.921 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.5 mtp85 -51.56 -47.0 63.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.0 mt -76.28 -43.91 39.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.465 ' CD2' ' CZ ' ' A' ' 22' ' ' PHE . 11.3 t60 -52.98 -18.4 1.96 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -84.04 23.83 0.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -99.27 -37.81 9.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.418 HG23 ' N ' ' A' ' 35' ' ' HIS . 32.7 m -60.58 -39.47 81.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.181 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.418 ' N ' HG23 ' A' ' 34' ' ' VAL . 66.1 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.81 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.788 0.328 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.461 ' CD1' ' C ' ' A' ' 24' ' ' GLN . 30.1 m95 -133.84 104.55 6.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.485 ' HD3' ' CB ' ' A' ' 21' ' ' CYS . 30.7 mmtt -84.9 168.11 15.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.1 t -109.56 172.86 6.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -106.8 -28.24 10.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.401 ' HG3' ' CB ' ' A' ' 35' ' ' HIS . 6.8 mm-40 -90.77 -67.41 0.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.443 ' O ' ' CG ' ' A' ' 19' ' ' ASP . 29.7 p -86.71 -3.66 59.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 18' ' ' CYS . 2.7 p30 50.35 36.26 12.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.509 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 17.1 tpp -84.36 142.94 29.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.485 ' CB ' ' HD3' ' A' ' 14' ' ' LYS . 17.8 p -97.56 140.53 31.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.509 ' CZ ' ' HG2' ' A' ' 20' ' ' MET . 95.5 m-85 -131.37 173.26 11.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.1 p -105.87 -42.74 5.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.461 ' C ' ' CD1' ' A' ' 13' ' ' TRP . 37.9 mt-30 -92.7 131.9 37.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.428 ' N ' ' NE1' ' A' ' 13' ' ' TRP . . . -64.63 -48.12 76.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.7 p -53.64 -25.29 17.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.412 ' O ' ' CB ' ' A' ' 31' ' ' HIS . 22.8 t -79.21 -47.49 15.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.854 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.602 ' C ' HD13 ' A' ' 28' ' ' LEU . 3.0 tm? -68.64 -51.63 40.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 -47.61 -51.16 22.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.483 HD12 ' ND2' ' A' ' 33' ' ' ASN . 27.7 tp -75.07 -42.57 56.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.964 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.487 ' O ' HG22 ' A' ' 34' ' ' VAL . 9.7 t60 -51.29 -17.41 0.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -82.68 17.93 1.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.483 ' ND2' HD12 ' A' ' 30' ' ' LEU . 54.1 m-20 -116.6 12.22 14.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 31' ' ' HIS . 30.6 m -99.97 -27.8 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.401 ' CB ' ' HG3' ' A' ' 17' ' ' GLU . 52.1 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.0 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.772 0.32 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.561 ' CD1' ' HA ' ' A' ' 25' ' ' ALA . 31.4 m95 -133.48 105.24 6.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.8 mttt -86.63 162.99 17.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.4 t -101.33 169.0 9.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.435 ' HG3' ' CD ' ' A' ' 17' ' ' GLU . 5.3 ptm180 -99.97 -24.31 14.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.435 ' CD ' ' HG3' ' A' ' 16' ' ' ARG . 30.8 mp0 -96.8 -73.26 0.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.463 ' C ' ' CG ' ' A' ' 19' ' ' ASP . 30.6 p -77.37 -5.76 50.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.463 ' CG ' ' C ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER 49.02 39.3 14.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 19.4 tpp -86.94 139.08 30.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 33.3 m -92.01 137.09 32.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.49 ' CD2' HD23 ' A' ' 28' ' ' LEU . 97.9 m-85 -126.66 179.17 5.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.3 p -113.59 -42.19 3.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.811 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -94.86 127.71 41.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.561 ' HA ' ' CD1' ' A' ' 13' ' ' TRP . . . -61.88 -43.88 97.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.7 t -57.66 -30.45 65.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.8 m -75.83 -45.29 36.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.514 ' C ' HD13 ' A' ' 28' ' ' LEU . 2.3 tm? -67.34 -51.19 55.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 53.7 mtt-85 -50.43 -52.59 36.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.1 tp -71.51 -32.08 67.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 24.6 t60 -62.67 -20.03 64.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -84.28 25.47 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -105.19 -28.89 10.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.4 m -66.43 -37.59 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.946 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.6 p . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.792 0.33 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.566 ' HB3' HD22 ' A' ' 28' ' ' LEU . 16.3 m95 -126.11 94.14 4.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.443 ' CB ' ' HA ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -114.1 163.47 15.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -83.04 -178.53 7.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -102.51 -54.14 2.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -64.54 -70.82 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 19' ' ' ASP . 24.7 p -68.26 -13.77 62.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.421 ' CG ' ' O ' ' A' ' 18' ' ' CYS . 1.4 p30 51.36 25.17 2.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.6 tmm? -81.25 135.02 35.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.443 ' HA ' ' CB ' ' A' ' 14' ' ' LYS . 7.1 t -86.37 147.69 25.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -130.92 124.45 31.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.7 p -53.16 -41.84 65.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -97.43 150.41 21.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.51 ' HB2' ' NE1' ' A' ' 13' ' ' TRP . . . -82.11 -47.5 12.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 t -57.2 -46.29 83.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.0 t -54.94 -36.56 65.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.566 HD22 ' HB3' ' A' ' 13' ' ' TRP . 12.9 tp -64.31 -46.07 85.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.938 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.6 mtt85 -55.91 -50.59 70.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.439 HD12 ' OD1' ' A' ' 33' ' ' ASN . 16.0 tp -64.15 -50.58 67.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.725 ' O ' HG22 ' A' ' 34' ' ' VAL . 5.7 t60 -42.89 -51.05 5.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 31' ' ' HIS . 56.2 mt-30 -34.5 -36.47 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.439 ' OD1' HD12 ' A' ' 30' ' ' LEU . 3.7 m120 -44.62 -51.77 8.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.725 HG22 ' O ' ' A' ' 31' ' ' HIS . 35.5 m -38.03 -38.1 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.842 179.955 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.565 ' O ' ' CE3' ' A' ' 13' ' ' TRP . 2.2 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.758 0.313 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.857 ' HB3' HD22 ' A' ' 28' ' ' LEU . 17.2 m95 -137.82 105.56 5.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.958 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -82.76 146.23 29.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.0 t -76.57 178.77 6.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -97.62 -36.3 10.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.516 ' CG ' ' N ' ' A' ' 18' ' ' CYS . 1.4 tt0 -93.97 -73.3 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.516 ' N ' ' CG ' ' A' ' 17' ' ' GLU . 24.7 p -69.95 -9.36 54.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.453 ' CG ' ' O ' ' A' ' 18' ' ' CYS . 2.3 p30 50.67 30.53 4.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.7 ttp -74.29 134.73 42.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.4 p -86.08 138.61 31.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.834 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.456 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 36.5 m-85 -121.68 -175.79 3.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.6 m -111.97 -43.32 3.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.417 ' C ' ' CD1' ' A' ' 13' ' ' TRP . 42.7 mt-30 -109.21 130.06 55.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.562 ' N ' ' NE1' ' A' ' 13' ' ' TRP . . . -52.55 -50.01 63.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.158 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.3 m -51.43 -45.69 62.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.7 m -57.41 -45.62 84.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.857 HD22 ' HB3' ' A' ' 13' ' ' TRP . 10.3 tp -66.22 -50.12 64.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -47.02 -49.54 20.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 67.1 mt -71.32 -38.08 71.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.496 ' O ' HG22 ' A' ' 34' ' ' VAL . 22.1 t60 -61.15 -16.15 41.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -82.76 18.83 1.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -97.84 -30.36 12.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.496 HG22 ' O ' ' A' ' 31' ' ' HIS . 19.1 m -61.2 -33.56 56.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.951 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.76 0.314 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.988 ' CE2' ' HB2' ' A' ' 25' ' ' ALA . 5.1 m95 -109.25 108.0 18.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.0 129.23 46.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.4 t -53.59 165.91 0.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -99.93 -36.73 9.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -70.64 -73.14 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.451 ' O ' ' CG ' ' A' ' 19' ' ' ASP . 27.1 p -71.02 -5.66 32.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 18' ' ' CYS . 2.0 p30 51.36 26.11 2.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.2 ttp -83.3 142.09 31.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.2 p -100.16 148.22 24.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -127.52 178.65 5.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 87.1 p -105.61 -41.61 5.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -112.52 121.13 43.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.988 ' HB2' ' CE2' ' A' ' 13' ' ' TRP . . . -50.06 -45.73 52.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.6 p -50.2 -44.4 53.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.5 t -60.75 -37.7 82.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.438 HD13 ' HB3' ' A' ' 13' ' ' TRP . 6.4 tt -65.99 -51.5 57.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.7 mmm-85 -43.47 -48.28 7.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.38 -35.11 70.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -61.08 -15.8 36.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -83.32 20.21 1.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.7 m-20 -95.75 -17.74 20.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.1 m -84.78 -31.86 7.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.967 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.781 0.324 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.408 ' HB3' HD22 ' A' ' 28' ' ' LEU . 33.2 m95 -110.14 79.72 1.24 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.31 147.97 28.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.6 t -75.29 147.24 40.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.4 ptt85 -108.17 31.61 5.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -135.0 -52.97 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -91.37 -13.45 32.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.2 t0 74.67 42.0 0.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.85 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 47.8 mtp -110.86 160.75 16.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.2 p -121.77 144.63 48.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -139.09 150.05 45.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.9 m -108.64 27.86 8.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.819 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -151.56 109.68 3.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.969 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.55 -47.93 48.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -59.75 -44.59 93.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.7 t -58.54 -43.52 89.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.408 HD22 ' HB3' ' A' ' 13' ' ' TRP . 5.5 tp -71.28 -34.12 70.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -60.78 -34.04 73.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.6 mp -86.27 -40.14 15.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.799 ' O ' HG13 ' A' ' 34' ' ' VAL . 0.6 OUTLIER -64.51 -45.0 89.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.876 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -52.8 -15.89 0.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -80.83 14.82 2.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.799 HG13 ' O ' ' A' ' 31' ' ' HIS . 16.4 m -98.66 -18.59 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.472 ' CE1' HG23 ' A' ' 34' ' ' VAL . 14.7 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.4 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.767 0.318 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.965 ' HB3' HD22 ' A' ' 28' ' ' LEU . 32.7 m95 -104.95 78.56 1.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.8 157.06 23.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.7 t -117.79 115.8 25.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -87.51 34.09 0.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.436 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 67.7 mm-40 -127.94 -31.04 2.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -127.44 -9.03 5.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.8 t70 69.58 54.06 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 12.7 mmm -132.93 123.32 25.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.0 m -84.09 137.53 33.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -129.53 114.13 15.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.9 m -85.21 16.32 3.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -136.05 109.75 8.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.514 ' N ' ' CD1' ' A' ' 13' ' ' TRP . . . -49.83 -42.2 46.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.7 m -63.13 -40.71 98.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 t -62.67 -43.51 98.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.965 HD22 ' HB3' ' A' ' 13' ' ' TRP . 5.0 tp -68.91 -49.13 60.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -50.67 -44.19 57.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.7 tp -74.28 -45.06 50.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.668 ' O ' HG22 ' A' ' 34' ' ' VAL . 10.7 t60 -55.97 -34.24 65.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -55.92 -13.72 2.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -84.71 20.79 1.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.668 HG22 ' O ' ' A' ' 31' ' ' HIS . 11.1 m -115.33 -35.06 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.436 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 77.7 m-70 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.2 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.776 0.322 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.605 ' CD1' ' N ' ' A' ' 25' ' ' ALA . 12.5 m95 -111.78 53.74 0.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.441 ' CB ' ' HA ' ' A' ' 21' ' ' CYS . 9.5 pttm -82.37 162.56 22.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.4 t -102.25 122.15 43.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.851 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.0 mtp85 -84.49 20.13 1.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 18' ' ' CYS . 1.9 tp10 -115.98 -55.76 2.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.454 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 17.1 p -95.14 -11.63 27.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.2 t0 71.76 45.1 0.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 35.0 mtm -120.44 114.6 22.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.441 ' HA ' ' CB ' ' A' ' 14' ' ' LYS . 3.4 m -79.24 139.02 38.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.493 ' CD2' HD13 ' A' ' 28' ' ' LEU . 96.0 m-85 -126.98 121.05 30.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 t -86.55 32.92 0.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -158.66 111.4 2.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.605 ' N ' ' CD1' ' A' ' 13' ' ' TRP . . . -50.35 -56.31 11.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.7 t -54.2 -43.32 70.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.801 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.3 m -56.18 -47.42 78.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.538 HD22 ' HB3' ' A' ' 13' ' ' TRP . 19.6 tp -63.14 -48.67 77.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.924 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -42.43 -45.59 4.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.51 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 10.6 mp -72.74 -50.1 26.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.576 ' O ' HG22 ' A' ' 34' ' ' VAL . 1.6 t-80 -49.31 -45.07 44.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -48.98 -21.53 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.51 ' ND2' ' O ' ' A' ' 30' ' ' LEU . 19.7 p30 -61.02 -9.15 3.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 31' ' ' HIS . 18.2 m -87.33 -17.61 8.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.082 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.914 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.769 0.319 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.418 ' CD1' ' N ' ' A' ' 25' ' ' ALA . 25.5 m95 -120.91 55.91 1.03 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -71.24 163.48 27.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.414 ' HA ' HD11 ' A' ' 28' ' ' LEU . 1.8 t -93.63 133.23 37.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.8 mmt-85 -85.8 21.75 1.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -127.64 -64.08 0.99 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.7 p -93.22 -15.87 25.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.6 t70 74.44 45.94 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 79.8 mtp -103.69 122.46 45.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.0 p -74.6 132.71 42.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.843 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -127.85 124.71 38.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.5 m -85.62 29.3 0.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -156.79 105.38 2.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.418 ' N ' ' CD1' ' A' ' 13' ' ' TRP . . . -42.02 -53.82 3.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.2 m -54.46 -48.87 71.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.3 m -50.1 -42.68 50.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.414 HD11 ' HA ' ' A' ' 15' ' ' CYS . 21.2 tp -72.14 -45.66 59.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -48.58 -51.65 26.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.4 tp -70.38 -40.41 73.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.708 ' O ' HG22 ' A' ' 34' ' ' VAL . 28.3 t60 -74.82 -4.39 37.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -86.17 -39.46 16.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.39 -37.14 84.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.708 HG22 ' O ' ' A' ' 31' ' ' HIS . 28.7 m -39.76 -40.28 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.427 ' N ' HG23 ' A' ' 34' ' ' VAL . 87.3 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.823 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.2 p . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.765 0.317 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.912 ' HB3' HD22 ' A' ' 28' ' ' LEU . 23.0 m95 -124.93 84.08 2.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -87.82 160.52 17.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.9 t -103.86 127.34 51.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -84.37 31.86 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -132.45 -42.37 0.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.9 p -125.28 -11.04 6.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 40.3 t0 71.58 54.39 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 64.3 mtp -112.22 124.84 53.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.0 m -83.35 142.67 30.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -135.26 134.83 40.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.5 m -71.86 -37.77 70.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.2 mp0 -99.82 149.07 23.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.73 -53.62 7.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.3 m -51.38 -45.38 62.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.5 m -54.35 -42.38 70.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.837 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.912 HD22 ' HB3' ' A' ' 13' ' ' TRP . 4.2 tp -67.22 -56.87 8.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.3 mtp85 -40.6 -50.86 3.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.01 -42.23 73.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -52.44 -21.96 4.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.85 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -84.57 26.82 0.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -97.31 -34.26 11.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.1 m -63.4 -38.02 81.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.811 179.931 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.6 p -88.93 79.08 7.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.85 0.357 . . . . 0.0 110.847 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -109.37 166.76 10.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.71 -121.61 4.79 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.8 p -74.87 101.37 4.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.902 0.382 . . . . 0.0 110.845 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.2 p -83.57 -32.46 25.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.71 -127.57 6.13 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.454 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.9 mmt -68.07 159.31 31.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.789 0.328 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.42 -129.28 0.14 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -174.61 126.23 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.909 0.385 . . . . 0.0 110.915 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.7 ptpp? -100.25 85.99 3.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.8 p -133.75 99.11 4.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.772 ' CE2' ' HB2' ' A' ' 25' ' ' ALA . 34.0 m95 -106.32 77.9 1.25 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -81.65 156.21 25.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -75.59 -178.57 4.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -94.48 -62.44 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -73.67 -69.12 0.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.446 ' O ' ' CG ' ' A' ' 19' ' ' ASP . 8.7 p -68.32 -19.37 64.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.446 ' CG ' ' O ' ' A' ' 18' ' ' CYS . 4.4 p-10 48.84 49.67 18.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.528 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 63.3 mtp -89.99 129.12 36.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.0 m -69.5 133.8 48.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.804 ' CD2' HD13 ' A' ' 28' ' ' LEU . 99.7 m-85 -133.3 97.19 3.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 22' ' ' PHE . 23.9 p -34.42 -41.51 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -99.53 125.52 45.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.949 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.772 ' HB2' ' CE2' ' A' ' 13' ' ' TRP . . . -62.71 -43.39 98.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.3 m -57.13 -56.64 19.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.4 m -43.17 -43.75 4.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.804 HD13 ' CD2' ' A' ' 22' ' ' PHE . 14.2 tp -64.11 -46.35 84.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 -45.26 -44.27 11.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.444 ' O ' ' CG ' ' A' ' 33' ' ' ASN . 4.1 mm? -76.82 -41.02 45.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 33' ' ' ASN . 7.1 t60 -53.51 -48.9 68.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 31' ' ' HIS . 43.8 mt-30 -37.75 -27.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' HIS . 40.6 m-20 -52.86 -48.23 67.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.5 m -40.13 -27.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 33' ' ' ASN . 97.6 m-70 -88.62 33.86 0.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.421 ' N ' ' O ' ' A' ' 33' ' ' ASN . 93.6 t -135.0 78.62 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 158.78 -104.58 0.25 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.516 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 39' ' ' LYS . 8.1 mp0 -87.42 141.38 28.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.89 0.376 . . . . 0.0 110.903 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.466 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 30.9 mtpp 34.45 52.97 1.37 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.54 0.686 . . . . 0.0 110.857 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.5 Cg_endo -69.77 -5.32 15.93 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.718 2.279 . . . . 0.0 112.339 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.6 t 70.62 37.28 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.62 -70.93 1.19 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 131.49 21.25 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.668 2.245 . . . . 0.0 112.33 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.8 t -55.77 121.24 8.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 90.7 p -174.06 170.79 3.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.846 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.132 -0.816 . . . . 0.0 112.507 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -143.56 168.27 20.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.878 0.37 . . . . 0.0 110.839 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.5 t -64.99 155.04 35.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.87 -107.31 3.0 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.4 p -46.83 124.12 5.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 110.805 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.5 p -91.76 42.18 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.61 98.73 2.47 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -124.19 157.2 35.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.812 0.339 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.99 44.87 56.59 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.442 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -69.38 107.94 3.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.951 0.405 . . . . 0.0 110.911 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -69.74 94.1 0.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.0 p -151.28 109.44 3.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.172 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.609 ' CD1' ' N ' ' A' ' 25' ' ' ALA . 28.9 m95 -111.81 87.39 2.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.941 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -87.75 153.49 21.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.9 t -83.58 179.48 7.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -101.83 -52.75 3.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -73.55 -73.57 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.411 ' O ' ' CG ' ' A' ' 19' ' ' ASP . 14.9 p -70.93 -11.1 60.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.411 ' CG ' ' O ' ' A' ' 18' ' ' CYS . 6.0 p-10 46.34 46.85 13.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.415 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 4.2 tpp -93.7 142.59 27.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.0 m -85.68 140.1 30.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.461 ' CD1' HD13 ' A' ' 28' ' ' LEU . 95.7 m-85 -136.25 131.58 34.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.7 m -84.53 36.48 0.59 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -165.76 106.25 0.72 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.609 ' N ' ' CD1' ' A' ' 13' ' ' TRP . . . -45.7 -53.25 9.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.082 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 76.4 p -58.55 -43.44 89.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.894 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.7 t -55.02 -42.24 72.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.814 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.461 HD13 ' CD1' ' A' ' 22' ' ' PHE . 43.2 tp -68.83 -46.59 68.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.6 mtp85 -52.59 -48.34 66.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.417 ' O ' ' CG ' ' A' ' 33' ' ' ASN . 96.5 mt -68.62 -47.79 65.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.74 ' O ' HG22 ' A' ' 34' ' ' VAL . 10.0 t60 -46.25 -51.9 13.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -41.76 -28.56 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.417 ' CG ' ' O ' ' A' ' 30' ' ' LEU . 65.9 m-20 -48.16 -43.58 31.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.74 HG22 ' O ' ' A' ' 31' ' ' HIS . 33.4 m -56.35 -36.17 45.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -67.88 -46.93 70.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.662 HG13 ' O ' ' A' ' 36' ' ' VAL . 1.9 p -91.11 27.55 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -143.88 129.68 3.75 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -166.41 125.04 1.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.913 0.387 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.7 ptmm? -147.4 143.88 18.7 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.559 0.695 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 -170.65 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.733 2.289 . . . . 0.0 112.345 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.6 m -107.41 130.33 54.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.797 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.47 ' N ' ' HD2' ' A' ' 43' ' ' PRO . . . 133.02 -59.93 0.68 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.47 ' HD2' ' N ' ' A' ' 42' ' ' GLY . 53.5 Cg_endo -69.77 2.76 3.25 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.664 2.243 . . . . 0.0 112.343 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 43' ' ' PRO . 12.4 m -34.64 120.49 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 46' ' ' GLY . 65.3 m -73.95 -47.61 36.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 45' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.123 -0.821 . . . . 0.0 112.528 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -168.9 140.51 2.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.865 0.364 . . . . 0.0 110.837 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.9 p -151.2 150.8 31.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.11 88.09 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.479 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 t -94.23 119.66 33.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.84 0.353 . . . . 0.0 110.877 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.2 p -122.88 116.54 23.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.34 -135.2 3.05 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.507 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.4 mtt -156.6 137.91 13.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.833 0.349 . . . . 0.0 110.836 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.417 ' C ' ' CD ' ' A' ' 10' ' ' GLU . . . -65.86 -134.31 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.417 ' CD ' ' C ' ' A' ' 9' ' ' GLY . 42.3 mp0 -150.71 123.62 8.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.944 0.402 . . . . 0.0 110.867 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.407 ' NZ ' ' HB2' ' A' ' 11' ' ' LYS . 3.5 ttmp? -78.76 58.66 2.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.6 p -135.01 103.51 5.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.603 ' HB3' HD22 ' A' ' 28' ' ' LEU . 22.9 m95 -111.77 84.97 2.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -85.65 156.55 20.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.3 t -92.86 128.68 38.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.65 16.56 1.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.55 ' OE1' ' CG ' ' A' ' 35' ' ' HIS . 54.1 mt-10 -119.41 -54.74 2.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.7 p -105.55 -10.52 16.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.2 t0 67.1 43.16 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 38.8 mtm -105.68 137.86 42.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.2 m -85.8 148.76 25.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.463 ' CD1' HD13 ' A' ' 28' ' ' LEU . 16.9 m-85 -136.33 112.03 9.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.7 m -48.03 -39.67 20.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.859 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -108.09 143.0 37.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.523 ' HB2' ' CE2' ' A' ' 13' ' ' TRP . . . -73.01 -45.25 58.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 84.4 p -51.84 -49.72 62.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.816 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.4 t -52.68 -43.2 65.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.603 HD22 ' HB3' ' A' ' 13' ' ' TRP . 20.3 tp -61.17 -49.98 75.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -46.72 -45.1 19.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.401 ' C ' ' N ' ' A' ' 32' ' ' GLN . 9.3 mt -73.93 -49.48 24.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.469 ' O ' HG22 ' A' ' 34' ' ' VAL . 14.5 t60 -46.84 -20.18 0.13 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.401 ' N ' ' C ' ' A' ' 30' ' ' LEU . 81.9 mt-30 -82.73 24.62 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -115.53 7.66 14.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 31' ' ' HIS . 33.3 m -110.01 -29.3 2.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.171 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.55 ' CG ' ' OE1' ' A' ' 17' ' ' GLU . 56.7 m-70 -59.49 -16.23 22.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.506 ' O ' HG22 ' A' ' 36' ' ' VAL . 9.5 p -87.97 22.84 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -86.05 -117.49 0.97 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.525 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -152.59 118.77 5.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.923 0.392 . . . . 0.0 110.892 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.452 ' HE2' ' CD ' ' A' ' 40' ' ' PRO . 1.6 mmpt? -142.31 155.92 64.36 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.59 0.71 . . . . 0.0 110.921 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.452 ' CD ' ' HE2' ' A' ' 39' ' ' LYS . 53.9 Cg_endo -69.79 164.32 34.99 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.676 2.251 . . . . 0.0 112.313 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 93.2 p -70.25 86.09 0.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.836 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -149.94 -76.39 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.517 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -10.48 28.66 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.372 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.1 m -118.4 142.97 47.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 73.8 m -76.69 -55.26 5.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.516 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.4 t -78.91 153.76 30.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.895 0.379 . . . . 0.0 110.869 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 m -112.21 -47.28 3.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.71 -89.93 1.25 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m -154.38 155.59 35.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.902 0.382 . . . . 0.0 110.867 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.5 p -114.12 116.76 29.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.906 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.86 69.43 0.96 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.529 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 32.5 mmm -83.16 106.22 14.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.81 0.338 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 161.23 101.33 0.16 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -101.25 83.18 2.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.935 0.398 . . . . 0.0 110.919 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -55.11 97.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.6 p -148.11 119.3 7.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.835 ' NE1' ' HB2' ' A' ' 25' ' ' ALA . 32.4 m95 -121.25 91.64 3.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.8 133.86 35.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.562 ' HA ' HD11 ' A' ' 28' ' ' LEU . 1.8 t -56.59 -176.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.803 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -113.77 -12.12 12.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.853 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -113.69 -73.1 0.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.0 p -75.96 -13.28 60.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.42 35.39 12.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.575 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 15.5 ttm -77.36 154.95 32.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.0 p -98.66 137.3 37.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.807 ' CD1' HD13 ' A' ' 28' ' ' LEU . 50.8 m-85 -135.45 128.13 30.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 m -70.01 -38.96 76.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.436 ' CD ' ' HB2' ' A' ' 27' ' ' SER . 2.4 pt20 -96.7 95.44 7.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.835 ' HB2' ' NE1' ' A' ' 13' ' ' TRP . . . -41.6 -30.22 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.096 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.7 p -67.73 -48.1 67.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.436 ' HB2' ' CD ' ' A' ' 24' ' ' GLN . 13.7 t -54.62 -45.53 73.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.807 HD13 ' CD1' ' A' ' 22' ' ' PHE . 15.6 tp -53.19 -56.43 16.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.4 mtt180 -41.76 -46.5 3.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.6 tp -74.18 -40.5 62.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.819 ' O ' HG22 ' A' ' 34' ' ' VAL . 20.6 t60 -48.61 -49.87 35.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 31' ' ' HIS . 12.9 mt-30 -34.74 -35.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 31' ' ' HIS . 4.2 m120 -45.53 -51.66 11.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.819 HG22 ' O ' ' A' ' 31' ' ' HIS . 27.7 m -40.57 -29.76 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 37.8 m-70 -78.72 -46.01 19.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 87.3 t -40.99 105.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.22 42.43 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.473 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -77.61 155.24 31.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.894 0.378 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt -133.62 158.17 76.21 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.547 0.689 . . . . 0.0 110.926 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 172.33 12.82 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.694 2.263 . . . . 0.0 112.33 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.6 m -124.75 86.02 2.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.848 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.32 74.78 1.25 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.498 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -176.05 1.34 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.68 2.253 . . . . 0.0 112.379 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.7 t -88.67 88.63 7.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.0 m 44.09 42.11 4.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.473 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.6 p -107.92 127.75 54.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.853 0.358 . . . . 0.0 110.897 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.3 p -137.03 173.42 11.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -42.9 134.23 4.72 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.468 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.7 p -143.94 119.78 10.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.871 0.367 . . . . 0.0 110.863 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.8 p -69.62 118.42 12.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.23 142.28 14.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.474 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -67.49 137.71 56.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.829 0.347 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.12 101.28 0.94 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.45 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -138.08 113.01 9.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.909 0.385 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.7 ptmm? -105.74 117.08 33.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.7 p -152.95 109.99 3.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.192 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 22.5 m95 -111.07 84.96 2.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.947 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -80.33 173.95 12.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.5 t -113.74 125.11 53.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -84.41 27.91 0.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -130.76 -47.63 1.04 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -112.78 -7.97 13.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 59.1 t0 67.31 39.4 3.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.59 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 11.8 tpp -102.02 148.93 24.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.44 ' N ' ' HG3' ' A' ' 20' ' ' MET . 80.4 m -96.16 133.79 40.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.59 ' CZ ' ' HG2' ' A' ' 20' ' ' MET . 97.5 m-85 -131.5 119.36 21.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.1 m -83.08 20.36 1.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -145.3 113.92 6.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.2 -52.8 50.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.082 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.2 p -57.46 -43.54 84.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.5 m -55.2 -53.07 60.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.815 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.7 tp -52.62 -47.98 66.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -61.98 -45.04 95.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.443 ' O ' ' CG ' ' A' ' 33' ' ' ASN . 28.9 tp -68.43 -18.57 64.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.791 ' O ' HG22 ' A' ' 34' ' ' VAL . 6.7 t60 -86.16 -40.68 15.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -51.32 -24.69 4.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.455 ' OD1' HG13 ' A' ' 34' ' ' VAL . 47.6 p30 -55.44 -19.8 10.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.791 HG22 ' O ' ' A' ' 31' ' ' HIS . 19.2 m -81.68 -24.79 9.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 36' ' ' VAL . 55.4 m-70 -78.94 -54.6 5.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 35' ' ' HIS . 6.1 p -36.4 124.84 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.114 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.53 -148.1 8.55 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -142.09 169.36 17.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.939 0.399 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -132.83 155.78 80.8 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.585 0.707 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 160.2 50.58 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.653 2.235 . . . . 0.0 112.328 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.6 t -93.49 85.14 4.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.08 64.84 1.03 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.478 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 82.23 0.76 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.72 2.28 . . . . 0.0 112.349 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.2 m -95.53 -42.95 8.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.867 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 46' ' ' GLY . 68.5 m -79.09 159.15 27.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 45' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.473 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m -82.12 46.27 1.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.822 0.344 . . . . 0.0 110.854 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -165.25 127.94 2.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.69 87.74 0.31 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.521 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.0 t -115.67 128.44 55.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.892 0.377 . . . . 0.0 110.832 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.4 m -146.44 155.01 42.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.22 149.27 8.72 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.464 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 37.67 43.13 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 65.26 -174.07 17.94 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.493 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -118.97 -18.85 8.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.945 0.402 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -46.29 129.28 10.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.2 p -155.37 110.38 2.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.602 ' HB3' HD22 ' A' ' 28' ' ' LEU . 38.0 m95 -108.24 92.37 4.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.3 mmmm -88.35 161.92 16.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.888 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -90.55 -178.69 5.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.2 mtm-85 -100.6 -55.87 2.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -72.83 -73.82 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.445 ' C ' ' CG ' ' A' ' 19' ' ' ASP . 24.9 p -74.88 -10.26 59.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.445 ' CG ' ' C ' ' A' ' 18' ' ' CYS . 0.2 OUTLIER 48.5 44.22 20.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.534 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -79.72 140.68 36.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.5 p -86.44 136.38 33.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.534 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 93.5 m-85 -130.68 143.21 50.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.8 t -82.33 -35.27 28.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -106.27 128.11 53.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.14 -48.71 80.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.1 m -50.75 -45.11 58.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.837 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 34.0 t -58.0 -40.74 81.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.817 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.602 HD22 ' HB3' ' A' ' 13' ' ' TRP . 6.0 tp -64.25 -55.3 22.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.8 mtm105 -47.85 -43.17 28.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.401 HD23 ' N ' ' A' ' 31' ' ' HIS . 0.3 OUTLIER -75.56 -34.82 60.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.641 ' O ' HG22 ' A' ' 34' ' ' VAL . 23.0 t60 -69.16 -21.03 64.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -83.98 23.25 1.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.931 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -121.56 -3.36 9.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.641 HG22 ' O ' ' A' ' 31' ' ' HIS . 29.9 m -87.09 -29.54 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.141 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -62.2 -56.41 18.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.499 HG13 ' O ' ' A' ' 36' ' ' VAL . 12.8 p -41.25 122.96 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.55 93.57 0.25 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.505 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -174.22 116.81 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.907 0.384 . . . . 0.0 110.844 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -115.43 143.62 30.8 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.571 0.701 . . . . 0.0 110.919 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 2.77 3.21 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.634 2.223 . . . . 0.0 112.379 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.0 p 56.21 39.05 30.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.54 -73.09 1.08 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.524 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 168.87 20.36 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.676 2.251 . . . . 0.0 112.341 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.3 m -126.49 48.37 2.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.842 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.8 t -126.65 103.5 7.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.838 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 CA-C-O 119.177 -0.791 . . . . 0.0 112.489 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t 67.05 42.27 2.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.903 0.383 . . . . 0.0 110.837 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -111.02 155.0 23.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.816 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.91 -173.11 30.38 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.5 t -120.48 96.66 5.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.899 0.38 . . . . 0.0 110.886 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.6 t -134.47 97.54 3.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.8 -75.25 1.23 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.504 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 38.2 mmt -46.11 128.16 9.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.837 0.351 . . . . 0.0 110.846 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.03 124.01 6.78 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.466 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.677 ' OE1' HG23 ' A' ' 12' ' ' THR . 1.2 tm-20 -60.57 102.38 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.923 0.392 . . . . 0.0 110.868 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -40.42 93.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.677 HG23 ' OE1' ' A' ' 10' ' ' GLU . 2.0 p -138.4 109.69 6.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.48 ' CD1' ' N ' ' A' ' 25' ' ' ALA . 25.2 m95 -116.77 79.99 1.41 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.485 ' CB ' ' HA ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -109.51 160.73 15.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.92 179.887 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.3 t -76.56 170.17 16.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.63 19.62 17.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -134.69 -58.9 0.81 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.6 p -85.24 -15.49 43.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.2 t70 64.15 46.08 3.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.421 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 78.1 mtp -106.62 110.32 22.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.485 ' HA ' ' CB ' ' A' ' 14' ' ' LYS . 14.1 t -73.5 144.22 46.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.839 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.549 ' CD1' HD13 ' A' ' 28' ' ' LEU . 88.7 m-85 -131.83 101.78 5.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 22' ' ' PHE . 2.7 t -34.25 -40.93 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.858 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -106.27 135.04 48.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.48 ' N ' ' CD1' ' A' ' 13' ' ' TRP . . . -65.51 -47.3 76.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.9 m -48.57 -48.44 38.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 38.1 m -53.71 -43.17 68.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.549 HD13 ' CD1' ' A' ' 22' ' ' PHE . 36.1 tp -65.41 -44.0 88.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 70.1 mtt180 -48.7 -46.93 41.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.5 mt -67.48 -40.01 85.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.718 ' O ' HG22 ' A' ' 34' ' ' VAL . 7.3 t60 -61.84 -35.99 79.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.817 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -50.86 -18.1 0.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -84.54 25.86 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.718 HG22 ' O ' ' A' ' 31' ' ' HIS . 34.7 m -108.79 -37.06 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.181 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -89.22 31.94 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.4 p -128.45 129.91 69.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.96 81.82 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.477 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -70.14 161.93 29.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.944 0.402 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.49 126.04 5.7 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.581 0.705 . . . . 0.0 110.887 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 2.58 3.44 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.673 2.249 . . . . 0.0 112.35 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.7 m 63.22 54.94 1.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 122.98 67.66 0.22 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -44.49 2.02 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.659 2.239 . . . . 0.0 112.348 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 84.3 p -98.1 106.6 18.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.4 p -101.74 -51.65 3.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 CA-C-O 119.161 -0.799 . . . . 0.0 112.487 -179.954 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 3' ' ' SER . 52.3 p -108.01 -43.59 4.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.897 0.379 . . . . 0.0 110.893 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 2' ' ' SER . 18.8 m -37.77 -58.06 0.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.846 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.14 174.14 17.45 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.464 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.5 m -162.28 139.57 8.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.862 0.363 . . . . 0.0 110.896 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -62.29 138.28 58.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.78 50.75 0.15 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.5 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.0 mtt -79.05 158.9 27.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.759 0.314 . . . . 0.0 110.938 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.33 -61.64 0.77 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -53.51 128.99 30.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.932 0.396 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -70.61 126.17 28.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.4 p -141.54 106.88 5.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.569 ' CD1' ' N ' ' A' ' 25' ' ' ALA . 37.9 m95 -110.86 107.22 16.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.927 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.51 ' C ' HD11 ' A' ' 28' ' ' LEU . 19.4 mtpp -104.98 167.96 9.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -98.18 -179.39 4.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.404 ' HD3' ' C ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -111.26 -55.9 2.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -58.69 -67.46 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.5 p -79.85 -30.26 40.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.8 t0 73.49 34.92 0.92 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.2 ttp -77.49 167.65 21.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.3 m -120.53 134.74 55.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -128.84 174.85 9.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.9 p -98.13 -45.24 6.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -107.46 138.96 42.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.952 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.569 ' N ' ' CD1' ' A' ' 13' ' ' TRP . . . -65.49 -50.62 64.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.5 p -43.39 -43.34 5.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.1 m -63.42 -43.29 97.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.523 HD22 HH12 ' A' ' 29' ' ' ARG . 5.2 tt -62.33 -51.94 65.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.523 HH12 HD22 ' A' ' 28' ' ' LEU . 17.9 mmt-85 -43.19 -48.8 6.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 tt -70.33 -48.62 55.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.487 ' O ' ' N ' ' A' ' 33' ' ' ASN . 5.0 t60 -46.66 -49.61 18.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.423 ' HG3' HD23 ' A' ' 28' ' ' LEU . 46.8 mt-30 -38.92 -26.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 31' ' ' HIS . 73.5 m-20 -49.2 -47.69 45.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.6 m -40.38 -28.22 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.151 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -91.04 34.83 0.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.826 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 33' ' ' ASN . 40.8 t -112.29 127.33 69.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.158 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.11 139.91 46.41 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.479 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -132.3 -38.22 1.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.901 0.381 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.9 tttp -43.52 131.64 3.74 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.598 0.714 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 152.11 69.27 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.664 2.243 . . . . 0.0 112.354 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -92.11 83.09 5.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 169.19 -78.57 0.1 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.482 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 94.22 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.716 2.277 . . . . 0.0 112.313 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.7 m -102.78 93.3 5.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.0 t -117.9 137.5 52.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.836 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.173 -0.793 . . . . 0.0 112.483 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.5 t -96.92 -65.39 0.97 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.868 0.366 . . . . 0.0 110.859 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.6 p -123.91 79.73 1.75 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.55 53.67 19.86 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.499 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.8 p -112.54 41.89 1.94 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.895 0.378 . . . . 0.0 110.847 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -55.12 -61.42 2.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.38 -65.97 3.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.518 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.1 mmt -41.57 159.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.781 0.324 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.07 125.25 8.42 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -110.46 40.81 1.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.919 0.39 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.409 ' O ' HG23 ' A' ' 12' ' ' THR . 6.6 ptpp? -67.93 118.61 11.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 11' ' ' LYS . 1.5 p -155.69 118.18 4.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.481 ' O ' HD12 ' A' ' 28' ' ' LEU . 20.2 m95 -118.46 98.65 6.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.6 ptmm? -117.81 160.77 20.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.45 ' SG ' ' CD ' ' A' ' 17' ' ' GLU . 43.8 t -97.21 131.71 43.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.411 ' N ' ' OE1' ' A' ' 17' ' ' GLU . 13.4 mmt85 -90.92 32.73 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.829 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.45 ' CD ' ' SG ' ' A' ' 15' ' ' CYS . 1.8 mp0 -131.21 -57.12 1.02 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.6 p -94.7 -13.41 25.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 74.23 54.45 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.1 mmm -118.91 159.22 24.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.8 p -131.33 137.88 48.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -129.42 154.88 46.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 92.1 p -79.76 -45.67 18.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -104.38 139.94 38.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.39 -46.07 77.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.4 m -44.64 -46.49 10.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.864 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.7 m -60.18 -41.75 93.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 13' ' ' TRP . 3.9 tt -62.35 -58.07 9.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 28' ' ' LEU . 12.6 mtp180 -36.92 -49.36 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.5 mt -64.42 -42.73 95.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.987 ' O ' HG22 ' A' ' 34' ' ' VAL . 8.6 t60 -53.96 -46.22 71.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -40.22 -26.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.958 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 31' ' ' HIS . 4.6 m-20 -56.9 -45.96 82.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.987 HG22 ' O ' ' A' ' 31' ' ' HIS . 24.5 m -51.36 -19.75 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -97.38 -48.35 5.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 98.8 t -55.47 118.9 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -94.8 -68.55 1.04 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 60.64 43.43 12.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.893 0.378 . . . . 0.0 110.832 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.85 142.41 25.18 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.602 0.715 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -177.37 1.83 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.386 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 99.8 p -46.63 -45.61 19.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 125.38 116.66 2.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.48 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -3.99 13.16 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.647 2.231 . . . . 0.0 112.35 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.1 t -64.53 -59.25 4.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 34.6 t -156.84 125.54 5.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.873 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.498 -179.954 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.4 p -130.71 157.13 43.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.899 0.381 . . . . 0.0 110.839 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -129.52 95.07 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.91 110.84 3.4 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.473 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 6' ' ' SER . 25.1 t -76.57 156.02 33.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.873 0.368 . . . . 0.0 110.827 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 5' ' ' SER . 80.5 p 36.24 46.43 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.904 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.55 35.24 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.441 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.9 ptt? -127.79 -34.27 2.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.819 0.342 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.25 86.42 1.88 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.452 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -98.75 48.88 0.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.898 0.38 . . . . 0.0 110.907 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.5 pttm -66.68 147.0 53.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.434 ' O ' ' CE3' ' A' ' 13' ' ' TRP . 1.7 t -175.35 145.99 0.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.434 ' CE3' ' O ' ' A' ' 12' ' ' THR . 21.9 m95 -135.04 85.85 2.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -68.26 153.72 43.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -91.23 -177.1 4.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 79.2 mtt-85 -105.01 -59.59 1.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.9 mp0 -63.07 -71.26 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.9 p -75.32 -25.06 57.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.7 t70 65.8 37.18 5.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.572 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 2.7 tmm? -85.61 145.72 27.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.2 p -87.84 134.43 33.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.572 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 87.3 m-85 -130.15 120.42 24.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.5 t -62.02 -36.16 80.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -97.82 125.66 42.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.433 ' N ' ' CD1' ' A' ' 13' ' ' TRP . . . -65.18 -46.16 81.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.3 m -56.76 -42.42 79.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.852 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.0 t -57.8 -42.63 84.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.409 HD13 ' CD1' ' A' ' 22' ' ' PHE . 12.1 tp -62.84 -44.22 96.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.921 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.5 mtp85 -51.56 -47.0 63.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.0 mt -76.28 -43.91 39.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.465 ' CD2' ' CZ ' ' A' ' 22' ' ' PHE . 11.3 t60 -52.98 -18.4 1.96 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -84.04 23.83 0.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -99.27 -37.81 9.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.418 HG23 ' N ' ' A' ' 35' ' ' HIS . 32.7 m -60.58 -39.47 81.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.181 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.418 ' N ' HG23 ' A' ' 34' ' ' VAL . 66.1 m-70 -58.69 -41.65 86.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.81 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.2 p -83.49 126.02 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 174.47 -54.92 0.14 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.474 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -45.42 141.57 2.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.888 0.375 . . . . 0.0 110.921 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.3 pttm -88.27 147.94 41.43 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.617 0.722 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 164.43 34.59 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.692 2.262 . . . . 0.0 112.325 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -79.68 -49.31 12.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.831 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 178.11 92.93 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.514 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 126.11 12.95 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.653 2.235 . . . . 0.0 112.368 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.4 t -41.28 -56.51 2.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.3 p -96.21 137.61 35.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.112 -0.827 . . . . 0.0 112.501 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.8 t -131.8 142.59 49.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.863 0.364 . . . . 0.0 110.845 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -100.23 168.72 9.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.851 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.19 110.78 0.48 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.488 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.6 t -67.59 -53.78 25.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.889 0.375 . . . . 0.0 110.864 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.5 p -40.17 160.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.871 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.76 -63.95 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.499 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.39 -31.63 11.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.812 0.339 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.29 156.06 7.23 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.464 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -119.21 102.98 9.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.909 0.385 . . . . 0.0 110.864 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -71.94 116.69 12.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 t -175.52 146.86 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.118 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.461 ' CD1' ' C ' ' A' ' 24' ' ' GLN . 30.1 m95 -133.84 104.55 6.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.485 ' HD3' ' CB ' ' A' ' 21' ' ' CYS . 30.7 mmtt -84.9 168.11 15.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.1 t -109.56 172.86 6.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -106.8 -28.24 10.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.401 ' HG3' ' CB ' ' A' ' 35' ' ' HIS . 6.8 mm-40 -90.77 -67.41 0.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.443 ' O ' ' CG ' ' A' ' 19' ' ' ASP . 29.7 p -86.71 -3.66 59.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 18' ' ' CYS . 2.7 p30 50.35 36.26 12.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.509 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 17.1 tpp -84.36 142.94 29.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.485 ' CB ' ' HD3' ' A' ' 14' ' ' LYS . 17.8 p -97.56 140.53 31.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.509 ' CZ ' ' HG2' ' A' ' 20' ' ' MET . 95.5 m-85 -131.37 173.26 11.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.1 p -105.87 -42.74 5.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.461 ' C ' ' CD1' ' A' ' 13' ' ' TRP . 37.9 mt-30 -92.7 131.9 37.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.428 ' N ' ' NE1' ' A' ' 13' ' ' TRP . . . -64.63 -48.12 76.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.7 p -53.64 -25.29 17.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.412 ' O ' ' CB ' ' A' ' 31' ' ' HIS . 22.8 t -79.21 -47.49 15.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.854 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.602 ' C ' HD13 ' A' ' 28' ' ' LEU . 3.0 tm? -68.64 -51.63 40.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 -47.61 -51.16 22.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.483 HD12 ' ND2' ' A' ' 33' ' ' ASN . 27.7 tp -75.07 -42.57 56.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.964 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.487 ' O ' HG22 ' A' ' 34' ' ' VAL . 9.7 t60 -51.29 -17.41 0.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -82.68 17.93 1.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.483 ' ND2' HD12 ' A' ' 30' ' ' LEU . 54.1 m-20 -116.6 12.22 14.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 31' ' ' HIS . 30.6 m -99.97 -27.8 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.401 ' CB ' ' HG3' ' A' ' 17' ' ' GLU . 52.1 m-70 -83.78 22.31 1.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 37' ' ' GLY . 9.9 p -91.32 -38.21 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 36' ' ' VAL . . . -34.37 -85.1 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -170.2 146.68 3.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.88 0.371 . . . . 0.0 110.918 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.416 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 19.7 ttmt -151.22 137.73 11.48 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.527 0.68 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.416 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.6 Cg_endo -69.74 169.08 19.72 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.339 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.455 ' O ' ' C ' ' A' ' 42' ' ' GLY . 2.9 m -47.51 135.23 11.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 41' ' ' SER . . . -32.9 96.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.453 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.431 ' N ' ' O ' ' A' ' 41' ' ' SER . 53.7 Cg_endo -69.74 -49.71 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.679 2.252 . . . . 0.0 112.39 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.8 m -104.5 -48.74 3.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.7 t -132.28 -55.62 0.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.873 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.495 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 t -111.17 131.83 54.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.845 0.355 . . . . 0.0 110.872 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.6 p -151.67 149.53 29.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.27 -142.94 16.35 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.472 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m 45.17 50.57 9.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.872 0.368 . . . . 0.0 110.849 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -113.58 144.08 43.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.82 137.17 2.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.46 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -112.91 160.84 17.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.911 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -158.52 -69.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.521 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -49.1 128.69 16.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 71.6 tttt -74.37 133.38 42.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.0 t -175.89 147.14 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.16 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.561 ' CD1' ' HA ' ' A' ' 25' ' ' ALA . 31.4 m95 -133.48 105.24 6.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.8 mttt -86.63 162.99 17.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.4 t -101.33 169.0 9.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.435 ' HG3' ' CD ' ' A' ' 17' ' ' GLU . 5.3 ptm180 -99.97 -24.31 14.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.435 ' CD ' ' HG3' ' A' ' 16' ' ' ARG . 30.8 mp0 -96.8 -73.26 0.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.463 ' C ' ' CG ' ' A' ' 19' ' ' ASP . 30.6 p -77.37 -5.76 50.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.463 ' CG ' ' C ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER 49.02 39.3 14.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 19.4 tpp -86.94 139.08 30.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 33.3 m -92.01 137.09 32.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.49 ' CD2' HD23 ' A' ' 28' ' ' LEU . 97.9 m-85 -126.66 179.17 5.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.3 p -113.59 -42.19 3.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.811 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -94.86 127.71 41.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.561 ' HA ' ' CD1' ' A' ' 13' ' ' TRP . . . -61.88 -43.88 97.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.7 t -57.66 -30.45 65.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.8 m -75.83 -45.29 36.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.514 ' C ' HD13 ' A' ' 28' ' ' LEU . 2.3 tm? -67.34 -51.19 55.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 53.7 mtt-85 -50.43 -52.59 36.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.1 tp -71.51 -32.08 67.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 24.6 t60 -62.67 -20.03 64.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -84.28 25.47 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -105.19 -28.89 10.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.4 m -66.43 -37.59 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 -71.15 -57.31 4.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.43 HG13 ' O ' ' A' ' 36' ' ' VAL . 9.1 p -61.0 125.24 16.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 171.93 -112.55 0.45 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.526 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 39' ' ' LYS . 5.4 tp10 63.34 38.1 10.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.879 0.371 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 38' ' ' GLU . 10.0 tmtt? -36.36 122.83 0.75 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.557 0.694 . . . . 0.0 110.928 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 122.33 9.01 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.7 2.267 . . . . 0.0 112.338 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 42' ' ' GLY . 86.0 p -65.88 -36.53 83.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 41' ' ' SER . . . -36.21 -72.2 0.15 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.503 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 162.41 42.19 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.697 2.265 . . . . 0.0 112.314 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.7 m -78.53 164.17 24.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 47.2 t -92.46 149.94 21.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.536 -179.919 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.9 p 41.06 42.13 1.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.824 0.345 . . . . 0.0 110.849 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 t -154.97 113.85 3.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.1 102.54 0.16 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.3 m -127.82 128.56 45.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.835 0.35 . . . . 0.0 110.843 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.6 t -48.0 -53.19 17.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.27 166.68 10.75 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.1 ptt? -67.16 -45.47 76.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.349 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 74.07 -107.93 2.38 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.545 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -83.38 127.31 33.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.949 0.404 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.9 pttp -44.16 135.22 4.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.6 p -144.24 120.0 10.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.178 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.566 ' HB3' HD22 ' A' ' 28' ' ' LEU . 16.3 m95 -126.11 94.14 4.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.443 ' CB ' ' HA ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -114.1 163.47 15.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -83.04 -178.53 7.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -102.51 -54.14 2.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -64.54 -70.82 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 19' ' ' ASP . 24.7 p -68.26 -13.77 62.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.421 ' CG ' ' O ' ' A' ' 18' ' ' CYS . 1.4 p30 51.36 25.17 2.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.6 tmm? -81.25 135.02 35.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.443 ' HA ' ' CB ' ' A' ' 14' ' ' LYS . 7.1 t -86.37 147.69 25.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -130.92 124.45 31.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.7 p -53.16 -41.84 65.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -97.43 150.41 21.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.51 ' HB2' ' NE1' ' A' ' 13' ' ' TRP . . . -82.11 -47.5 12.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 t -57.2 -46.29 83.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.0 t -54.94 -36.56 65.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.566 HD22 ' HB3' ' A' ' 13' ' ' TRP . 12.9 tp -64.31 -46.07 85.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.938 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.6 mtt85 -55.91 -50.59 70.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.439 HD12 ' OD1' ' A' ' 33' ' ' ASN . 16.0 tp -64.15 -50.58 67.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.725 ' O ' HG22 ' A' ' 34' ' ' VAL . 5.7 t60 -42.89 -51.05 5.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 31' ' ' HIS . 56.2 mt-30 -34.5 -36.47 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.439 ' OD1' HD12 ' A' ' 30' ' ' LEU . 3.7 m120 -44.62 -51.77 8.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.725 HG22 ' O ' ' A' ' 31' ' ' HIS . 35.5 m -38.03 -38.1 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 36' ' ' VAL . 63.5 m-70 -75.9 -52.65 9.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.842 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 35' ' ' HIS . 97.0 t -36.8 -46.43 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.68 -150.59 9.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -99.24 177.48 5.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.366 . . . . 0.0 110.892 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.3 mtmp? -82.87 119.49 74.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.611 0.719 . . . . 0.0 110.956 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -176.1 1.37 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.66 2.24 . . . . 0.0 112.356 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 m -93.64 29.03 2.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.89 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.06 -78.37 0.8 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.472 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 123.23 9.89 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.707 2.271 . . . . 0.0 112.349 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.3 m -60.05 144.83 48.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 43.3 t -53.82 156.28 2.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.826 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.52 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 t -117.32 128.62 55.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.922 0.392 . . . . 0.0 110.852 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t -46.17 170.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.797 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.5 -165.34 39.34 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.478 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.3 p -148.93 153.65 38.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.859 0.362 . . . . 0.0 110.816 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -94.86 82.33 3.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.51 97.12 0.11 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.493 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.5 ptp -115.84 41.52 2.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.894 0.378 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 75.56 118.22 0.12 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.522 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -89.03 129.95 35.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.949 0.404 . . . . 0.0 110.885 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -79.14 134.48 36.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.565 ' O ' ' CE3' ' A' ' 13' ' ' TRP . 2.2 t -175.13 146.9 0.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.189 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.857 ' HB3' HD22 ' A' ' 28' ' ' LEU . 17.2 m95 -137.82 105.56 5.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.958 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -82.76 146.23 29.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.0 t -76.57 178.77 6.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -97.62 -36.3 10.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.516 ' CG ' ' N ' ' A' ' 18' ' ' CYS . 1.4 tt0 -93.97 -73.3 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.516 ' N ' ' CG ' ' A' ' 17' ' ' GLU . 24.7 p -69.95 -9.36 54.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.453 ' CG ' ' O ' ' A' ' 18' ' ' CYS . 2.3 p30 50.67 30.53 4.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.7 ttp -74.29 134.73 42.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.4 p -86.08 138.61 31.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.834 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.456 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 36.5 m-85 -121.68 -175.79 3.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.6 m -111.97 -43.32 3.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.417 ' C ' ' CD1' ' A' ' 13' ' ' TRP . 42.7 mt-30 -109.21 130.06 55.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.562 ' N ' ' NE1' ' A' ' 13' ' ' TRP . . . -52.55 -50.01 63.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.158 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.3 m -51.43 -45.69 62.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.7 m -57.41 -45.62 84.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.857 HD22 ' HB3' ' A' ' 13' ' ' TRP . 10.3 tp -66.22 -50.12 64.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -47.02 -49.54 20.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 67.1 mt -71.32 -38.08 71.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.496 ' O ' HG22 ' A' ' 34' ' ' VAL . 22.1 t60 -61.15 -16.15 41.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -82.76 18.83 1.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -97.84 -30.36 12.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.496 HG22 ' O ' ' A' ' 31' ' ' HIS . 19.1 m -61.2 -33.56 56.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -88.28 35.33 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 84.9 t -121.98 -42.09 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.2 66.18 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -121.64 -35.95 3.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.907 0.384 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm -102.47 144.76 29.25 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.556 0.693 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 165.63 30.27 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.386 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.4 t -86.81 115.12 24.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 39.85 67.94 0.6 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.465 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -174.57 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.662 2.242 . . . . 0.0 112.327 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.7 p 43.41 42.44 3.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.1 m -60.91 157.93 14.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-O 119.202 -0.776 . . . . 0.0 112.484 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.4 m -127.5 140.87 51.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 0.0 110.877 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.0 m -113.94 135.95 53.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.53 -27.68 1.34 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.479 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.8 t -89.03 51.32 2.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 0.0 110.843 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.8 p -76.47 142.22 41.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.3 169.68 30.27 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.3 tmm? -95.15 -62.02 1.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.773 0.321 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 156.27 154.95 7.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.506 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.32 148.34 41.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.933 0.397 . . . . 0.0 110.86 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -69.14 85.07 0.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 p -154.33 105.55 2.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.18 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.988 ' CE2' ' HB2' ' A' ' 25' ' ' ALA . 5.1 m95 -109.25 108.0 18.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.0 129.23 46.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.409 ' SG ' ' NE2' ' A' ' 32' ' ' GLN . 15.4 t -53.59 165.91 0.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -99.93 -36.73 9.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -70.64 -73.14 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.451 ' O ' ' CG ' ' A' ' 19' ' ' ASP . 27.1 p -71.02 -5.66 32.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 18' ' ' CYS . 2.0 p30 51.36 26.11 2.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.2 ttp -83.3 142.09 31.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.2 p -100.16 148.22 24.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -127.52 178.65 5.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 87.1 p -105.61 -41.61 5.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -112.52 121.13 43.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.988 ' HB2' ' CE2' ' A' ' 13' ' ' TRP . . . -50.06 -45.73 52.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.6 p -50.2 -44.4 53.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.5 t -60.75 -37.7 82.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.438 HD13 ' HB3' ' A' ' 13' ' ' TRP . 6.4 tt -65.99 -51.5 57.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.7 mmm-85 -43.47 -48.28 7.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.38 -35.11 70.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -61.08 -15.8 36.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.409 ' NE2' ' SG ' ' A' ' 15' ' ' CYS . 34.7 mm-40 -83.32 20.21 1.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.7 m-20 -95.75 -17.74 20.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.1 m -84.78 -31.86 7.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.442 ' O ' ' C ' ' A' ' 36' ' ' VAL . 95.4 m-70 -78.08 -65.23 1.0 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.483 HG13 ' O ' ' A' ' 36' ' ' VAL . 7.1 p -34.67 125.19 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.7 135.34 6.89 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.44 170.31 8.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.91 0.386 . . . . 0.0 110.876 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.5 mttt -143.08 147.97 43.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.563 0.697 . . . . 0.0 110.916 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 171.93 13.56 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.694 2.262 . . . . 0.0 112.352 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.1 p -84.42 52.09 2.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.427 ' HA2' ' HD2' ' A' ' 43' ' ' PRO . . . 67.79 107.51 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.427 ' HD2' ' HA2' ' A' ' 42' ' ' GLY . 53.7 Cg_endo -69.8 176.06 7.3 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.697 2.265 . . . . 0.0 112.359 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.0 t -77.69 129.92 36.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 52.3 m -101.26 -57.9 1.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.847 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.181 -0.788 . . . . 0.0 112.475 -179.979 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -86.91 -46.21 10.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.897 0.379 . . . . 0.0 110.877 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.7 m 45.33 42.21 7.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.812 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.18 157.04 23.09 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 m -118.37 -46.05 2.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.858 0.361 . . . . 0.0 110.84 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.7 t -148.88 114.42 5.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.79 -108.33 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.508 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.9 ttp -44.96 -59.69 2.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.844 0.354 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 171.11 178.06 41.36 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.48 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -138.95 151.33 46.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.91 0.386 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.6 tttp -138.15 105.96 5.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 p -153.35 110.66 3.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.121 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.408 ' HB3' HD22 ' A' ' 28' ' ' LEU . 33.2 m95 -110.14 79.72 1.24 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.31 147.97 28.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.6 t -75.29 147.24 40.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.4 ptt85 -108.17 31.61 5.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -135.0 -52.97 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -91.37 -13.45 32.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.2 t0 74.67 42.0 0.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.85 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 47.8 mtp -110.86 160.75 16.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.2 p -121.77 144.63 48.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -139.09 150.05 45.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.9 m -108.64 27.86 8.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.819 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -151.56 109.68 3.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.969 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.55 -47.93 48.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -59.75 -44.59 93.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.7 t -58.54 -43.52 89.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.408 HD22 ' HB3' ' A' ' 13' ' ' TRP . 5.5 tp -71.28 -34.12 70.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -60.78 -34.04 73.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.6 mp -86.27 -40.14 15.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.799 ' O ' HG13 ' A' ' 34' ' ' VAL . 1.5 t60 -64.51 -45.0 89.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -52.8 -15.89 0.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -80.83 14.82 2.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.799 HG13 ' O ' ' A' ' 31' ' ' HIS . 16.4 m -98.66 -18.59 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.472 ' CE1' HG23 ' A' ' 34' ' ' VAL . 14.7 m-70 -106.48 30.74 5.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.3 p -152.07 145.48 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -44.38 135.14 6.32 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.473 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.473 ' CD ' ' C ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -80.67 44.52 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.927 0.394 . . . . 0.0 110.893 -179.885 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -92.38 109.38 37.72 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.602 0.715 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 153.42 68.7 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.671 2.247 . . . . 0.0 112.312 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.6 p -99.06 83.74 2.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.827 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 68.62 63.1 3.69 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.474 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -31.6 20.35 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.695 2.263 . . . . 0.0 112.37 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 83.7 p -113.81 172.14 7.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.5 m -78.98 137.2 37.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.152 -0.805 . . . . 0.0 112.496 -179.925 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.3 p -134.06 164.05 28.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.851 0.358 . . . . 0.0 110.874 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.8 m -62.51 148.58 45.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.42 -150.05 16.0 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 t -86.47 111.7 20.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.87 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.7 m -117.85 97.38 5.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.1 91.53 0.33 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.1 ptm -102.05 137.09 40.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.742 0.306 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.67 120.36 5.13 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.498 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -104.99 175.1 5.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.911 0.386 . . . . 0.0 110.9 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -64.48 81.35 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.4 p -133.57 98.57 4.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.171 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.965 ' HB3' HD22 ' A' ' 28' ' ' LEU . 32.7 m95 -104.95 78.56 1.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.8 157.06 23.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.7 t -117.79 115.8 25.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -87.51 34.09 0.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.436 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 67.7 mm-40 -127.94 -31.04 2.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -127.44 -9.03 5.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.8 t70 69.58 54.06 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 12.7 mmm -132.93 123.32 25.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.0 m -84.09 137.53 33.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -129.53 114.13 15.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.9 m -85.21 16.32 3.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -136.05 109.75 8.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.514 ' N ' ' CD1' ' A' ' 13' ' ' TRP . . . -49.83 -42.2 46.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.7 m -63.13 -40.71 98.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 t -62.67 -43.51 98.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.965 HD22 ' HB3' ' A' ' 13' ' ' TRP . 5.0 tp -68.91 -49.13 60.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -50.67 -44.19 57.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.7 tp -74.28 -45.06 50.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.668 ' O ' HG22 ' A' ' 34' ' ' VAL . 10.7 t60 -55.97 -34.24 65.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -55.92 -13.72 2.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -84.71 20.79 1.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.668 HG22 ' O ' ' A' ' 31' ' ' HIS . 11.1 m -115.33 -35.06 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.436 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 77.7 m-70 -74.87 -18.15 60.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.497 ' O ' HG22 ' A' ' 36' ' ' VAL . 9.9 p -91.4 16.8 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.77 -43.52 83.8 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.43 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 39' ' ' LYS . 17.4 tt0 -72.72 165.66 24.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.964 0.411 . . . . 0.0 110.882 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 38' ' ' GLU . 36.9 mmtm -35.63 124.05 0.65 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.596 0.712 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 148.64 65.84 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.697 2.265 . . . . 0.0 112.359 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.5 m -87.1 41.0 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -108.77 -81.52 1.32 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.472 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 132.33 23.13 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.671 2.248 . . . . 0.0 112.351 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 54.0 p 50.08 38.83 17.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.5 m -115.28 133.27 56.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.824 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.166 -0.797 . . . . 0.0 112.505 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 t -86.96 158.36 19.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.855 0.36 . . . . 0.0 110.896 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.5 p -149.65 168.67 22.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.846 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.37 116.12 1.17 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.3 t -169.97 114.8 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 0.0 110.856 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.2 t -71.87 -57.87 3.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.863 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.29 -119.51 4.6 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 39.1 mtt -106.79 -57.91 2.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -135.92 151.44 20.7 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.536 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.4 mp0 -131.4 92.59 3.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.392 . . . . 0.0 110.849 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.573 ' O ' HG23 ' A' ' 12' ' ' THR . 0.0 OUTLIER -45.0 135.3 5.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.573 HG23 ' O ' ' A' ' 11' ' ' LYS . 3.2 p -160.55 107.07 1.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.605 ' CD1' ' N ' ' A' ' 25' ' ' ALA . 12.5 m95 -111.78 53.74 0.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.441 ' CB ' ' HA ' ' A' ' 21' ' ' CYS . 9.5 pttm -82.37 162.56 22.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.4 t -102.25 122.15 43.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.851 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.0 mtp85 -84.49 20.13 1.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 18' ' ' CYS . 1.9 tp10 -115.98 -55.76 2.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.454 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 17.1 p -95.14 -11.63 27.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.2 t0 71.76 45.1 0.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 35.0 mtm -120.44 114.6 22.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.441 ' HA ' ' CB ' ' A' ' 14' ' ' LYS . 3.4 m -79.24 139.02 38.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.493 ' CD2' HD13 ' A' ' 28' ' ' LEU . 96.0 m-85 -126.98 121.05 30.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 t -86.55 32.92 0.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -158.66 111.4 2.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.605 ' N ' ' CD1' ' A' ' 13' ' ' TRP . . . -50.35 -56.31 11.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.7 t -54.2 -43.32 70.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.801 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.3 m -56.18 -47.42 78.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.538 HD22 ' HB3' ' A' ' 13' ' ' TRP . 19.6 tp -63.14 -48.67 77.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.924 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -42.43 -45.59 4.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.51 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 10.6 mp -72.74 -50.1 26.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.576 ' O ' HG22 ' A' ' 34' ' ' VAL . 8.2 t60 -49.31 -45.07 44.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -48.98 -21.53 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.527 ' O ' HG12 ' A' ' 36' ' ' VAL . 19.7 p30 -61.02 -9.15 3.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 31' ' ' HIS . 18.2 m -87.33 -17.61 8.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.082 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 -109.07 38.33 2.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.634 HG13 ' O ' ' A' ' 36' ' ' VAL . 12.1 p -131.73 106.64 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.93 69.88 1.26 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.47 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -86.14 -31.78 21.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.89 0.376 . . . . 0.0 110.878 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -112.47 82.24 4.6 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.59 0.709 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 117.12 4.9 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.641 2.227 . . . . 0.0 112.354 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.4 m -54.91 93.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.09 84.26 0.17 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.468 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 2.63 3.38 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.661 2.241 . . . . 0.0 112.328 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.7 t 65.24 41.55 4.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.841 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 93.1 p -68.87 -28.76 66.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.875 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.496 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m 39.55 42.04 0.84 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.885 0.374 . . . . 0.0 110.869 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.2 p -104.73 174.07 6.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.14 62.55 0.11 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.0 m -113.54 82.97 1.77 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.88 0.371 . . . . 0.0 110.895 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.1 t -120.26 79.44 1.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.41 39.97 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.509 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.86 171.25 14.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.801 0.334 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -179.19 110.94 0.3 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.456 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -66.64 136.15 55.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.928 0.394 . . . . 0.0 110.889 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.846 ' O ' HG23 ' A' ' 12' ' ' THR . 0.0 OUTLIER -63.31 144.92 56.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.846 HG23 ' O ' ' A' ' 11' ' ' LYS . 1.2 p -171.76 122.45 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.184 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.418 ' CD1' ' N ' ' A' ' 25' ' ' ALA . 25.5 m95 -120.91 55.91 1.03 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -71.24 163.48 27.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.414 ' HA ' HD11 ' A' ' 28' ' ' LEU . 1.8 t -93.63 133.23 37.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.8 mmt-85 -85.8 21.75 1.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -127.64 -64.08 0.99 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.7 p -93.22 -15.87 25.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.6 t70 74.44 45.94 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 79.8 mtp -103.69 122.46 45.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.0 p -74.6 132.71 42.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.843 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -127.85 124.71 38.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.5 m -85.62 29.3 0.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -156.79 105.38 2.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.418 ' N ' ' CD1' ' A' ' 13' ' ' TRP . . . -42.02 -53.82 3.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.2 m -54.46 -48.87 71.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.3 m -50.1 -42.68 50.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.414 HD11 ' HA ' ' A' ' 15' ' ' CYS . 21.2 tp -72.14 -45.66 59.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -48.58 -51.65 26.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.4 tp -70.38 -40.41 73.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.708 ' O ' HG22 ' A' ' 34' ' ' VAL . 28.3 t60 -74.82 -4.39 37.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -86.17 -39.46 16.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.39 -37.14 84.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.708 HG22 ' O ' ' A' ' 31' ' ' HIS . 28.7 m -39.76 -40.28 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.427 ' N ' HG23 ' A' ' 34' ' ' VAL . 87.3 m-70 -76.71 -51.13 12.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.823 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 99.8 t -68.4 113.34 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.1 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 154.07 121.51 0.81 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.47 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -156.77 138.03 13.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.916 0.389 . . . . 0.0 110.873 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp -111.44 130.67 22.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.59 0.709 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 120.59 7.34 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.709 2.273 . . . . 0.0 112.289 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 m -83.53 27.81 0.59 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.64 -80.18 1.09 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.447 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.473 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.8 Cg_endo -69.73 80.04 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.657 2.238 . . . . 0.0 112.344 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 43' ' ' PRO . 56.2 m 32.67 49.57 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 44' ' ' SER . 44.5 t 33.49 51.92 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.491 -179.973 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.7 t -165.25 136.28 3.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.872 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.2 p -90.05 124.5 34.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.87 76.92 0.41 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.503 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.6 t -84.71 146.48 27.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.868 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.2 p -108.3 -46.75 3.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.827 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.24 -59.0 0.69 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.528 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.8 ptm -80.16 161.92 24.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.342 . . . . 0.0 110.928 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -58.72 -156.91 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.464 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 11' ' ' LYS . 9.1 tp10 -104.87 31.61 4.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.895 0.378 . . . . 0.0 110.879 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 10' ' ' GLU . 65.1 tttt 34.47 44.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 10' ' ' GLU . 8.2 p -138.92 117.43 12.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.202 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.912 ' HB3' HD22 ' A' ' 28' ' ' LEU . 23.0 m95 -124.93 84.08 2.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -87.82 160.52 17.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.9 t -103.86 127.34 51.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -84.37 31.86 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -132.45 -42.37 0.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.9 p -125.28 -11.04 6.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 40.3 t0 71.58 54.39 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 64.3 mtp -112.22 124.84 53.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.0 m -83.35 142.67 30.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -135.26 134.83 40.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.5 m -71.86 -37.77 70.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.2 mp0 -99.82 149.07 23.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.73 -53.62 7.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.3 m -51.38 -45.38 62.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.5 m -54.35 -42.38 70.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.837 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.912 HD22 ' HB3' ' A' ' 13' ' ' TRP . 4.2 tp -67.22 -56.87 8.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.3 mtp85 -40.6 -50.86 3.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.01 -42.23 73.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -52.44 -21.96 4.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.85 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.495 ' O ' HG12 ' A' ' 36' ' ' VAL . 72.0 mt-30 -84.57 26.82 0.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -97.31 -34.26 11.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.1 m -63.4 -38.02 81.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -72.53 -62.55 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.811 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.495 HG12 ' O ' ' A' ' 32' ' ' GLN . 15.0 p -60.23 -25.21 32.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 38' ' ' GLU . . . -43.28 -72.86 0.28 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.459 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 37' ' ' GLY . 3.2 pt-20 -36.83 124.97 0.88 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.924 0.393 . . . . 0.0 110.877 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.76 113.82 14.86 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.599 0.714 . . . . 0.0 110.85 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 -172.59 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.695 2.263 . . . . 0.0 112.345 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -108.4 42.13 1.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -125.17 -108.91 1.73 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.505 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 130.99 20.28 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.673 2.249 . . . . 0.0 112.337 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.1 p -160.71 131.58 5.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.3 p -91.19 85.01 5.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.82 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.471 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.8 p . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.765 0.317 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.772 ' CE2' ' HB2' ' A' ' 25' ' ' ALA . 34.0 m95 -106.32 77.9 1.25 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -81.65 156.21 25.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -75.59 -178.57 4.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -94.48 -62.44 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -73.67 -69.12 0.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.446 ' O ' ' CG ' ' A' ' 19' ' ' ASP . 8.7 p -68.32 -19.37 64.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.446 ' CG ' ' O ' ' A' ' 18' ' ' CYS . 4.4 p-10 48.84 49.67 18.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.528 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 63.3 mtp -89.99 129.12 36.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.0 m -69.5 133.8 48.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.804 ' CD2' HD13 ' A' ' 28' ' ' LEU . 99.7 m-85 -133.3 97.19 3.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 22' ' ' PHE . 23.9 p -34.42 -41.51 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -99.53 125.52 45.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.949 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.772 ' HB2' ' CE2' ' A' ' 13' ' ' TRP . . . -62.71 -43.39 98.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.3 m -57.13 -56.64 19.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.4 m -43.17 -43.75 4.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.804 HD13 ' CD2' ' A' ' 22' ' ' PHE . 14.2 tp -64.11 -46.35 84.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 -45.26 -44.27 11.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.444 ' O ' ' CG ' ' A' ' 33' ' ' ASN . 4.1 mm? -76.82 -41.02 45.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 33' ' ' ASN . 7.1 t60 -53.51 -48.9 68.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 31' ' ' HIS . 43.8 mt-30 -37.75 -27.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' HIS . 40.6 m-20 -52.86 -48.23 67.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.5 m -40.13 -27.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 33' ' ' ASN . 97.6 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.0 p . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.76 0.314 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.609 ' CD1' ' N ' ' A' ' 25' ' ' ALA . 28.9 m95 -111.81 87.39 2.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.941 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -87.75 153.49 21.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.9 t -83.58 179.48 7.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -101.83 -52.75 3.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -73.55 -73.57 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.411 ' O ' ' CG ' ' A' ' 19' ' ' ASP . 14.9 p -70.93 -11.1 60.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.411 ' CG ' ' O ' ' A' ' 18' ' ' CYS . 6.0 p-10 46.34 46.85 13.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.415 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 4.2 tpp -93.7 142.59 27.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.0 m -85.68 140.1 30.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.461 ' CD1' HD13 ' A' ' 28' ' ' LEU . 95.7 m-85 -136.25 131.58 34.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.7 m -84.53 36.48 0.59 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -165.76 106.25 0.72 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.609 ' N ' ' CD1' ' A' ' 13' ' ' TRP . . . -45.7 -53.25 9.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.082 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 76.4 p -58.55 -43.44 89.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.894 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.7 t -55.02 -42.24 72.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.814 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.461 HD13 ' CD1' ' A' ' 22' ' ' PHE . 43.2 tp -68.83 -46.59 68.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.6 mtp85 -52.59 -48.34 66.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.417 ' O ' ' CG ' ' A' ' 33' ' ' ASN . 96.5 mt -68.62 -47.79 65.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.74 ' O ' HG22 ' A' ' 34' ' ' VAL . 10.0 t60 -46.25 -51.9 13.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -41.76 -28.56 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.417 ' CG ' ' O ' ' A' ' 30' ' ' LEU . 65.9 m-20 -48.16 -43.58 31.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.74 HG22 ' O ' ' A' ' 31' ' ' HIS . 33.4 m -56.35 -36.17 45.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.969 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.6 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.758 0.313 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.603 ' HB3' HD22 ' A' ' 28' ' ' LEU . 22.9 m95 -111.77 84.97 2.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -85.65 156.55 20.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.3 t -92.86 128.68 38.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.65 16.56 1.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.55 ' OE1' ' CG ' ' A' ' 35' ' ' HIS . 54.1 mt-10 -119.41 -54.74 2.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.7 p -105.55 -10.52 16.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.2 t0 67.1 43.16 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 38.8 mtm -105.68 137.86 42.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.2 m -85.8 148.76 25.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.463 ' CD1' HD13 ' A' ' 28' ' ' LEU . 16.9 m-85 -136.33 112.03 9.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.7 m -48.03 -39.67 20.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.859 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -108.09 143.0 37.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.523 ' HB2' ' CE2' ' A' ' 13' ' ' TRP . . . -73.01 -45.25 58.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 84.4 p -51.84 -49.72 62.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.816 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.4 t -52.68 -43.2 65.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.603 HD22 ' HB3' ' A' ' 13' ' ' TRP . 20.3 tp -61.17 -49.98 75.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -46.72 -45.1 19.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.401 ' C ' ' N ' ' A' ' 32' ' ' GLN . 9.3 mt -73.93 -49.48 24.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.469 ' O ' HG22 ' A' ' 34' ' ' VAL . 14.5 t60 -46.84 -20.18 0.13 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.401 ' N ' ' C ' ' A' ' 30' ' ' LEU . 81.9 mt-30 -82.73 24.62 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -115.53 7.66 14.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 31' ' ' HIS . 33.3 m -110.01 -29.3 2.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.171 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.55 ' CG ' ' OE1' ' A' ' 17' ' ' GLU . 56.7 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.6 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.782 0.325 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.835 ' NE1' ' HB2' ' A' ' 25' ' ' ALA . 32.4 m95 -121.25 91.64 3.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.8 133.86 35.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.562 ' HA ' HD11 ' A' ' 28' ' ' LEU . 1.8 t -56.59 -176.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.803 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -113.77 -12.12 12.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.853 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -113.69 -73.1 0.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.0 p -75.96 -13.28 60.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.42 35.39 12.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.575 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 15.5 ttm -77.36 154.95 32.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.0 p -98.66 137.3 37.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.807 ' CD1' HD13 ' A' ' 28' ' ' LEU . 50.8 m-85 -135.45 128.13 30.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 m -70.01 -38.96 76.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.436 ' CD ' ' HB2' ' A' ' 27' ' ' SER . 2.4 pt20 -96.7 95.44 7.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.835 ' HB2' ' NE1' ' A' ' 13' ' ' TRP . . . -41.6 -30.22 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.096 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.7 p -67.73 -48.1 67.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.436 ' HB2' ' CD ' ' A' ' 24' ' ' GLN . 13.7 t -54.62 -45.53 73.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.807 HD13 ' CD1' ' A' ' 22' ' ' PHE . 15.6 tp -53.19 -56.43 16.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.4 mtt180 -41.76 -46.5 3.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.6 tp -74.18 -40.5 62.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.819 ' O ' HG22 ' A' ' 34' ' ' VAL . 20.6 t60 -48.61 -49.87 35.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 31' ' ' HIS . 12.9 mt-30 -34.74 -35.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 31' ' ' HIS . 2.5 m-80 -45.53 -51.66 11.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.819 HG22 ' O ' ' A' ' 31' ' ' HIS . 27.7 m -40.57 -29.76 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 37.8 m-70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.945 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.7 p . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.768 0.318 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 22.5 m95 -111.07 84.96 2.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.947 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -80.33 173.95 12.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.5 t -113.74 125.11 53.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -84.41 27.91 0.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -130.76 -47.63 1.04 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -112.78 -7.97 13.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 59.1 t0 67.31 39.4 3.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.59 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 11.8 tpp -102.02 148.93 24.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.44 ' N ' ' HG3' ' A' ' 20' ' ' MET . 80.4 m -96.16 133.79 40.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.59 ' CZ ' ' HG2' ' A' ' 20' ' ' MET . 97.5 m-85 -131.5 119.36 21.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.1 m -83.08 20.36 1.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -145.3 113.92 6.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.2 -52.8 50.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.082 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.2 p -57.46 -43.54 84.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.5 m -55.2 -53.07 60.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.815 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.7 tp -52.62 -47.98 66.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -61.98 -45.04 95.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.443 ' O ' ' CG ' ' A' ' 33' ' ' ASN . 28.9 tp -68.43 -18.57 64.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.791 ' O ' HG22 ' A' ' 34' ' ' VAL . 6.7 t60 -86.16 -40.68 15.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -51.32 -24.69 4.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.455 ' OD1' HG13 ' A' ' 34' ' ' VAL . 47.6 p30 -55.44 -19.8 10.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.791 HG22 ' O ' ' A' ' 31' ' ' HIS . 19.2 m -81.68 -24.79 9.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 55.4 m-70 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.946 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.2 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.818 0.342 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.602 ' HB3' HD22 ' A' ' 28' ' ' LEU . 38.0 m95 -108.24 92.37 4.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.3 mmmm -88.35 161.92 16.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.888 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -90.55 -178.69 5.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.444 ' NH2' ' NE2' ' A' ' 32' ' ' GLN . 41.2 mtm-85 -100.6 -55.87 2.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -72.83 -73.82 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.445 ' C ' ' CG ' ' A' ' 19' ' ' ASP . 24.9 p -74.88 -10.26 59.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.445 ' CG ' ' C ' ' A' ' 18' ' ' CYS . 0.2 OUTLIER 48.5 44.22 20.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.534 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -79.72 140.68 36.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.5 p -86.44 136.38 33.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.534 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 93.5 m-85 -130.68 143.21 50.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.8 t -82.33 -35.27 28.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -106.27 128.11 53.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.14 -48.71 80.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.1 m -50.75 -45.11 58.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.837 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 34.0 t -58.0 -40.74 81.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.817 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.602 HD22 ' HB3' ' A' ' 13' ' ' TRP . 6.0 tp -64.25 -55.3 22.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.8 mtm105 -47.85 -43.17 28.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.401 HD23 ' N ' ' A' ' 31' ' ' HIS . 0.3 OUTLIER -75.56 -34.82 60.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.641 ' O ' HG22 ' A' ' 34' ' ' VAL . 23.0 t60 -69.16 -21.03 64.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.444 ' NE2' ' NH2' ' A' ' 16' ' ' ARG . 94.0 mt-30 -83.98 23.25 1.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.931 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -121.56 -3.36 9.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.641 HG22 ' O ' ' A' ' 31' ' ' HIS . 29.9 m -87.09 -29.54 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.141 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.927 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.0 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.798 0.332 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.48 ' CD1' ' N ' ' A' ' 25' ' ' ALA . 25.2 m95 -116.77 79.99 1.41 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.485 ' CB ' ' HA ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -109.51 160.73 15.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.92 179.887 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.3 t -76.56 170.17 16.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.63 19.62 17.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -134.69 -58.9 0.81 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.6 p -85.24 -15.49 43.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.2 t70 64.15 46.08 3.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.421 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 78.1 mtp -106.62 110.32 22.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.485 ' HA ' ' CB ' ' A' ' 14' ' ' LYS . 14.1 t -73.5 144.22 46.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.839 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.549 ' CD1' HD13 ' A' ' 28' ' ' LEU . 88.7 m-85 -131.83 101.78 5.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 22' ' ' PHE . 2.7 t -34.25 -40.93 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.858 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -106.27 135.04 48.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.48 ' N ' ' CD1' ' A' ' 13' ' ' TRP . . . -65.51 -47.3 76.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.9 m -48.57 -48.44 38.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 38.1 m -53.71 -43.17 68.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.549 HD13 ' CD1' ' A' ' 22' ' ' PHE . 36.1 tp -65.41 -44.0 88.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 70.1 mtt180 -48.7 -46.93 41.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.5 mt -67.48 -40.01 85.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.718 ' O ' HG22 ' A' ' 34' ' ' VAL . 7.3 t60 -61.84 -35.99 79.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.817 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -50.86 -18.1 0.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -84.54 25.86 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.718 HG22 ' O ' ' A' ' 31' ' ' HIS . 34.7 m -108.79 -37.06 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.181 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.925 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.4 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.733 0.301 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.569 ' CD1' ' N ' ' A' ' 25' ' ' ALA . 37.9 m95 -110.86 107.22 16.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.927 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.51 ' C ' HD11 ' A' ' 28' ' ' LEU . 19.4 mtpp -104.98 167.96 9.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -98.18 -179.39 4.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.404 ' HD3' ' C ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -111.26 -55.9 2.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -58.69 -67.46 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.5 p -79.85 -30.26 40.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.8 t0 73.49 34.92 0.92 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.2 ttp -77.49 167.65 21.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.3 m -120.53 134.74 55.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -128.84 174.85 9.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.9 p -98.13 -45.24 6.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -107.46 138.96 42.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.952 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.569 ' N ' ' CD1' ' A' ' 13' ' ' TRP . . . -65.49 -50.62 64.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.5 p -43.39 -43.34 5.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.1 m -63.42 -43.29 97.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.523 HD22 HH12 ' A' ' 29' ' ' ARG . 5.2 tt -62.33 -51.94 65.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.523 HH12 HD22 ' A' ' 28' ' ' LEU . 17.9 mmt-85 -43.19 -48.8 6.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 tt -70.33 -48.62 55.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.487 ' O ' ' N ' ' A' ' 33' ' ' ASN . 5.0 t60 -46.66 -49.61 18.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.423 ' HG3' HD23 ' A' ' 28' ' ' LEU . 46.8 mt-30 -38.92 -26.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 31' ' ' HIS . 73.5 m-20 -49.2 -47.69 45.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.6 m -40.38 -28.22 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.151 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.826 179.923 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.765 0.316 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.481 ' O ' HD12 ' A' ' 28' ' ' LEU . 20.2 m95 -118.46 98.65 6.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.6 ptmm? -117.81 160.77 20.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.45 ' SG ' ' CD ' ' A' ' 17' ' ' GLU . 43.8 t -97.21 131.71 43.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.411 ' N ' ' OE1' ' A' ' 17' ' ' GLU . 13.4 mmt85 -90.92 32.73 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.829 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.45 ' CD ' ' SG ' ' A' ' 15' ' ' CYS . 1.8 mp0 -131.21 -57.12 1.02 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.6 p -94.7 -13.41 25.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 74.23 54.45 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.1 mmm -118.91 159.22 24.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.8 p -131.33 137.88 48.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -129.42 154.88 46.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 92.1 p -79.76 -45.67 18.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -104.38 139.94 38.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.39 -46.07 77.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.4 m -44.64 -46.49 10.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.864 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.7 m -60.18 -41.75 93.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 13' ' ' TRP . 3.9 tt -62.35 -58.07 9.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 28' ' ' LEU . 12.6 mtp180 -36.92 -49.36 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.5 mt -64.42 -42.73 95.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.987 ' O ' HG22 ' A' ' 34' ' ' VAL . 8.6 t60 -53.96 -46.22 71.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -40.22 -26.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.958 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 31' ' ' HIS . 4.6 m-20 -56.9 -45.96 82.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.987 HG22 ' O ' ' A' ' 31' ' ' HIS . 24.5 m -51.36 -19.75 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.868 179.942 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.434 ' O ' ' CE3' ' A' ' 13' ' ' TRP . 1.7 t . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.768 0.318 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.434 ' CE3' ' O ' ' A' ' 12' ' ' THR . 21.9 m95 -135.04 85.85 2.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -68.26 153.72 43.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -91.23 -177.1 4.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 79.2 mtt-85 -105.01 -59.59 1.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.9 mp0 -63.07 -71.26 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.9 p -75.32 -25.06 57.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.7 t70 65.8 37.18 5.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.572 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 2.7 tmm? -85.61 145.72 27.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.2 p -87.84 134.43 33.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.572 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 87.3 m-85 -130.15 120.42 24.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.5 t -62.02 -36.16 80.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -97.82 125.66 42.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.433 ' N ' ' CD1' ' A' ' 13' ' ' TRP . . . -65.18 -46.16 81.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.3 m -56.76 -42.42 79.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.852 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.0 t -57.8 -42.63 84.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.409 HD13 ' CD1' ' A' ' 22' ' ' PHE . 12.1 tp -62.84 -44.22 96.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.921 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.5 mtp85 -51.56 -47.0 63.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.0 mt -76.28 -43.91 39.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.465 ' CD2' ' CZ ' ' A' ' 22' ' ' PHE . 11.3 t60 -52.98 -18.4 1.96 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -84.04 23.83 0.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -99.27 -37.81 9.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.418 HG23 ' N ' ' A' ' 35' ' ' HIS . 32.7 m -60.58 -39.47 81.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.181 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.418 ' N ' HG23 ' A' ' 34' ' ' VAL . 66.1 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.81 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.788 0.328 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.461 ' CD1' ' C ' ' A' ' 24' ' ' GLN . 30.1 m95 -133.84 104.55 6.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.485 ' HD3' ' CB ' ' A' ' 21' ' ' CYS . 30.7 mmtt -84.9 168.11 15.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.1 t -109.56 172.86 6.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -106.8 -28.24 10.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.401 ' HG3' ' CB ' ' A' ' 35' ' ' HIS . 6.8 mm-40 -90.77 -67.41 0.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.443 ' O ' ' CG ' ' A' ' 19' ' ' ASP . 29.7 p -86.71 -3.66 59.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 18' ' ' CYS . 2.7 p30 50.35 36.26 12.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.509 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 17.1 tpp -84.36 142.94 29.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.485 ' CB ' ' HD3' ' A' ' 14' ' ' LYS . 17.8 p -97.56 140.53 31.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.509 ' CZ ' ' HG2' ' A' ' 20' ' ' MET . 95.5 m-85 -131.37 173.26 11.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.1 p -105.87 -42.74 5.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.461 ' C ' ' CD1' ' A' ' 13' ' ' TRP . 37.9 mt-30 -92.7 131.9 37.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.428 ' N ' ' NE1' ' A' ' 13' ' ' TRP . . . -64.63 -48.12 76.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.7 p -53.64 -25.29 17.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.412 ' O ' ' CB ' ' A' ' 31' ' ' HIS . 22.8 t -79.21 -47.49 15.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.854 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.602 HD13 ' C ' ' A' ' 28' ' ' LEU . 3.0 tm? -68.64 -51.63 40.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 -47.61 -51.16 22.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.483 HD12 ' ND2' ' A' ' 33' ' ' ASN . 27.7 tp -75.07 -42.57 56.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.964 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.487 ' O ' HG22 ' A' ' 34' ' ' VAL . 9.7 t60 -51.29 -17.41 0.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -82.68 17.93 1.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.483 ' ND2' HD12 ' A' ' 30' ' ' LEU . 54.1 m-20 -116.6 12.22 14.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 31' ' ' HIS . 30.6 m -99.97 -27.8 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.401 ' CB ' ' HG3' ' A' ' 17' ' ' GLU . 52.1 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.0 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.772 0.32 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.561 ' CD1' ' HA ' ' A' ' 25' ' ' ALA . 31.4 m95 -133.48 105.24 6.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.8 mttt -86.63 162.99 17.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.4 t -101.33 169.0 9.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.435 ' HG3' ' CD ' ' A' ' 17' ' ' GLU . 5.3 ptm180 -99.97 -24.31 14.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.435 ' CD ' ' HG3' ' A' ' 16' ' ' ARG . 30.8 mp0 -96.8 -73.26 0.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.463 ' C ' ' CG ' ' A' ' 19' ' ' ASP . 30.6 p -77.37 -5.76 50.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.463 ' CG ' ' C ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER 49.02 39.3 14.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 19.4 tpp -86.94 139.08 30.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 33.3 m -92.01 137.09 32.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.49 ' CD2' HD23 ' A' ' 28' ' ' LEU . 97.9 m-85 -126.66 179.17 5.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.3 p -113.59 -42.19 3.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.811 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -94.86 127.71 41.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.561 ' HA ' ' CD1' ' A' ' 13' ' ' TRP . . . -61.88 -43.88 97.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.7 t -57.66 -30.45 65.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.8 m -75.83 -45.29 36.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.514 HD13 ' C ' ' A' ' 28' ' ' LEU . 2.3 tm? -67.34 -51.19 55.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 53.7 mtt-85 -50.43 -52.59 36.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.1 tp -71.51 -32.08 67.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 24.6 t60 -62.67 -20.03 64.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -84.28 25.47 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -105.19 -28.89 10.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.4 m -66.43 -37.59 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.946 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.6 p . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.792 0.33 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.566 ' HB3' HD22 ' A' ' 28' ' ' LEU . 16.3 m95 -126.11 94.14 4.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.443 ' CB ' ' HA ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -114.1 163.47 15.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -83.04 -178.53 7.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -102.51 -54.14 2.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -64.54 -70.82 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 19' ' ' ASP . 24.7 p -68.26 -13.77 62.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.421 ' CG ' ' O ' ' A' ' 18' ' ' CYS . 1.4 p30 51.36 25.17 2.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.6 tmm? -81.25 135.02 35.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.443 ' HA ' ' CB ' ' A' ' 14' ' ' LYS . 7.1 t -86.37 147.69 25.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -130.92 124.45 31.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.7 p -53.16 -41.84 65.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -97.43 150.41 21.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.51 ' HB2' ' NE1' ' A' ' 13' ' ' TRP . . . -82.11 -47.5 12.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 t -57.2 -46.29 83.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.0 t -54.94 -36.56 65.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.566 HD22 ' HB3' ' A' ' 13' ' ' TRP . 12.9 tp -64.31 -46.07 85.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.938 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.6 mtt85 -55.91 -50.59 70.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.589 HD12 ' ND2' ' A' ' 33' ' ' ASN . 16.0 tp -64.15 -50.58 67.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.725 ' O ' HG22 ' A' ' 34' ' ' VAL . 5.7 t60 -42.89 -51.05 5.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 31' ' ' HIS . 56.2 mt-30 -34.5 -36.47 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.589 ' ND2' HD12 ' A' ' 30' ' ' LEU . 68.1 m-20 -44.62 -51.77 8.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.725 HG22 ' O ' ' A' ' 31' ' ' HIS . 35.5 m -38.03 -38.1 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.842 179.955 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.565 ' O ' ' CE3' ' A' ' 13' ' ' TRP . 2.2 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.758 0.313 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.857 ' HB3' HD22 ' A' ' 28' ' ' LEU . 17.2 m95 -137.82 105.56 5.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.958 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -82.76 146.23 29.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.0 t -76.57 178.77 6.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -97.62 -36.3 10.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.516 ' CG ' ' N ' ' A' ' 18' ' ' CYS . 1.4 tt0 -93.97 -73.3 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.516 ' N ' ' CG ' ' A' ' 17' ' ' GLU . 24.7 p -69.95 -9.36 54.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.453 ' CG ' ' O ' ' A' ' 18' ' ' CYS . 2.3 p30 50.67 30.53 4.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.7 ttp -74.29 134.73 42.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.4 p -86.08 138.61 31.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.834 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.456 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 36.5 m-85 -121.68 -175.79 3.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.6 m -111.97 -43.32 3.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.417 ' C ' ' CD1' ' A' ' 13' ' ' TRP . 42.7 mt-30 -109.21 130.06 55.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.562 ' N ' ' NE1' ' A' ' 13' ' ' TRP . . . -52.55 -50.01 63.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.158 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.3 m -51.43 -45.69 62.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.7 m -57.41 -45.62 84.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.857 HD22 ' HB3' ' A' ' 13' ' ' TRP . 10.3 tp -66.22 -50.12 64.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -47.02 -49.54 20.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 67.1 mt -71.32 -38.08 71.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.496 ' O ' HG22 ' A' ' 34' ' ' VAL . 22.1 t60 -61.15 -16.15 41.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -82.76 18.83 1.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -97.84 -30.36 12.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.496 HG22 ' O ' ' A' ' 31' ' ' HIS . 19.1 m -61.2 -33.56 56.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.951 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.76 0.314 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.988 ' CE2' ' HB2' ' A' ' 25' ' ' ALA . 5.1 m95 -109.25 108.0 18.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.0 129.23 46.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.409 ' SG ' ' NE2' ' A' ' 32' ' ' GLN . 15.4 t -53.59 165.91 0.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -99.93 -36.73 9.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -70.64 -73.14 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.451 ' O ' ' CG ' ' A' ' 19' ' ' ASP . 27.1 p -71.02 -5.66 32.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 18' ' ' CYS . 2.0 p30 51.36 26.11 2.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.2 ttp -83.3 142.09 31.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.2 p -100.16 148.22 24.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -127.52 178.65 5.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 87.1 p -105.61 -41.61 5.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -112.52 121.13 43.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.988 ' HB2' ' CE2' ' A' ' 13' ' ' TRP . . . -50.06 -45.73 52.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.6 p -50.2 -44.4 53.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.5 t -60.75 -37.7 82.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.438 HD13 ' HB3' ' A' ' 13' ' ' TRP . 6.4 tt -65.99 -51.5 57.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.7 mmm-85 -43.47 -48.28 7.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.38 -35.11 70.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -61.08 -15.8 36.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.409 ' NE2' ' SG ' ' A' ' 15' ' ' CYS . 34.7 mm-40 -83.32 20.21 1.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.7 m-20 -95.75 -17.74 20.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.1 m -84.78 -31.86 7.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.967 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.781 0.324 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.408 ' HB3' HD22 ' A' ' 28' ' ' LEU . 33.2 m95 -110.14 79.72 1.24 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.31 147.97 28.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.6 t -75.29 147.24 40.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.4 ptt85 -108.17 31.61 5.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -135.0 -52.97 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -91.37 -13.45 32.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.2 t0 74.67 42.0 0.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.85 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 47.8 mtp -110.86 160.75 16.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.2 p -121.77 144.63 48.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -139.09 150.05 45.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.9 m -108.64 27.86 8.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.819 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -151.56 109.68 3.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.969 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.55 -47.93 48.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -59.75 -44.59 93.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.7 t -58.54 -43.52 89.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.408 HD22 ' HB3' ' A' ' 13' ' ' TRP . 5.5 tp -71.28 -34.12 70.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -60.78 -34.04 73.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.6 mp -86.27 -40.14 15.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.799 ' O ' HG13 ' A' ' 34' ' ' VAL . 1.5 t60 -64.51 -45.0 89.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -52.8 -15.89 0.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -80.83 14.82 2.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.799 HG13 ' O ' ' A' ' 31' ' ' HIS . 16.4 m -98.66 -18.59 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.472 ' CE1' HG23 ' A' ' 34' ' ' VAL . 14.7 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.4 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.767 0.318 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.965 ' HB3' HD22 ' A' ' 28' ' ' LEU . 32.7 m95 -104.95 78.56 1.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.8 157.06 23.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.7 t -117.79 115.8 25.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -87.51 34.09 0.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.436 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 67.7 mm-40 -127.94 -31.04 2.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -127.44 -9.03 5.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.8 t70 69.58 54.06 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 12.7 mmm -132.93 123.32 25.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.0 m -84.09 137.53 33.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -129.53 114.13 15.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.9 m -85.21 16.32 3.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -136.05 109.75 8.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.514 ' N ' ' CD1' ' A' ' 13' ' ' TRP . . . -49.83 -42.2 46.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.7 m -63.13 -40.71 98.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 t -62.67 -43.51 98.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.965 HD22 ' HB3' ' A' ' 13' ' ' TRP . 5.0 tp -68.91 -49.13 60.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -50.67 -44.19 57.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.7 tp -74.28 -45.06 50.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.668 ' O ' HG22 ' A' ' 34' ' ' VAL . 10.7 t60 -55.97 -34.24 65.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -55.92 -13.72 2.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -84.71 20.79 1.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.668 HG22 ' O ' ' A' ' 31' ' ' HIS . 11.1 m -115.33 -35.06 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.436 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 77.7 m-70 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.2 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.776 0.322 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.605 ' CD1' ' N ' ' A' ' 25' ' ' ALA . 12.5 m95 -111.78 53.74 0.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.441 ' CB ' ' HA ' ' A' ' 21' ' ' CYS . 9.5 pttm -82.37 162.56 22.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.4 t -102.25 122.15 43.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.851 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.0 mtp85 -84.49 20.13 1.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 18' ' ' CYS . 1.9 tp10 -115.98 -55.76 2.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.454 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 17.1 p -95.14 -11.63 27.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.2 t0 71.76 45.1 0.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 35.0 mtm -120.44 114.6 22.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.441 ' HA ' ' CB ' ' A' ' 14' ' ' LYS . 3.4 m -79.24 139.02 38.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.493 ' CD2' HD13 ' A' ' 28' ' ' LEU . 96.0 m-85 -126.98 121.05 30.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 t -86.55 32.92 0.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -158.66 111.4 2.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.605 ' N ' ' CD1' ' A' ' 13' ' ' TRP . . . -50.35 -56.31 11.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.7 t -54.2 -43.32 70.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.801 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.3 m -56.18 -47.42 78.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.538 HD22 ' HB3' ' A' ' 13' ' ' TRP . 19.6 tp -63.14 -48.67 77.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.924 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -42.43 -45.59 4.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.51 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 10.6 mp -72.74 -50.1 26.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.576 ' O ' HG22 ' A' ' 34' ' ' VAL . 8.2 t60 -49.31 -45.07 44.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -48.98 -21.53 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.51 ' ND2' ' O ' ' A' ' 30' ' ' LEU . 19.7 p30 -61.02 -9.15 3.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 31' ' ' HIS . 18.2 m -87.33 -17.61 8.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.082 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.914 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.769 0.319 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.418 ' CD1' ' N ' ' A' ' 25' ' ' ALA . 25.5 m95 -120.91 55.91 1.03 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -71.24 163.48 27.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.414 ' HA ' HD11 ' A' ' 28' ' ' LEU . 1.8 t -93.63 133.23 37.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.8 mmt-85 -85.8 21.75 1.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -127.64 -64.08 0.99 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.7 p -93.22 -15.87 25.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.6 t70 74.44 45.94 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 79.8 mtp -103.69 122.46 45.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.0 p -74.6 132.71 42.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.843 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -127.85 124.71 38.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.5 m -85.62 29.3 0.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -156.79 105.38 2.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.418 ' N ' ' CD1' ' A' ' 13' ' ' TRP . . . -42.02 -53.82 3.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.2 m -54.46 -48.87 71.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.3 m -50.1 -42.68 50.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.414 HD11 ' HA ' ' A' ' 15' ' ' CYS . 21.2 tp -72.14 -45.66 59.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -48.58 -51.65 26.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.4 tp -70.38 -40.41 73.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.708 ' O ' HG22 ' A' ' 34' ' ' VAL . 28.3 t60 -74.82 -4.39 37.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -86.17 -39.46 16.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.39 -37.14 84.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.708 HG22 ' O ' ' A' ' 31' ' ' HIS . 28.7 m -39.76 -40.28 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.427 ' N ' HG23 ' A' ' 34' ' ' VAL . 87.3 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.823 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.2 p . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.765 0.317 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.912 ' HB3' HD22 ' A' ' 28' ' ' LEU . 23.0 m95 -124.93 84.08 2.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -87.82 160.52 17.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.9 t -103.86 127.34 51.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -84.37 31.86 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -132.45 -42.37 0.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.9 p -125.28 -11.04 6.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 40.3 t0 71.58 54.39 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 64.3 mtp -112.22 124.84 53.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.0 m -83.35 142.67 30.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -135.26 134.83 40.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.5 m -71.86 -37.77 70.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.2 mp0 -99.82 149.07 23.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.73 -53.62 7.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.3 m -51.38 -45.38 62.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.5 m -54.35 -42.38 70.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.837 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.912 HD22 ' HB3' ' A' ' 13' ' ' TRP . 4.2 tp -67.22 -56.87 8.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.3 mtp85 -40.6 -50.86 3.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.01 -42.23 73.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -52.44 -21.96 4.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.85 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -84.57 26.82 0.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -97.31 -34.26 11.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.1 m -63.4 -38.02 81.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.811 179.931 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.6 p -88.93 79.08 7.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.85 0.357 . . . . 0.0 110.847 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -109.37 166.76 10.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.71 -121.61 4.79 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.8 p -74.87 101.37 4.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.902 0.382 . . . . 0.0 110.845 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.2 p -83.57 -32.46 25.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.71 -127.57 6.13 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.454 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.9 mmt -68.07 159.31 31.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.789 0.328 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.42 -129.28 0.14 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -174.61 126.23 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.909 0.385 . . . . 0.0 110.915 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.7 ptpp? -100.25 85.99 3.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.8 p -133.75 99.11 4.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.772 ' CE2' ' HB2' ' A' ' 25' ' ' ALA . 34.0 m95 -106.32 77.9 1.25 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -81.65 156.21 25.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -75.59 -178.57 4.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -94.48 -62.44 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -73.67 -69.12 0.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.446 ' O ' ' CG ' ' A' ' 19' ' ' ASP . 8.7 p -68.32 -19.37 64.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.446 ' CG ' ' O ' ' A' ' 18' ' ' CYS . 4.4 p-10 48.84 49.67 18.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.528 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 63.3 mtp -89.99 129.12 36.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.0 m -69.5 133.8 48.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.804 ' CD2' HD13 ' A' ' 28' ' ' LEU . 99.7 m-85 -133.3 97.19 3.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 22' ' ' PHE . 23.9 p -34.42 -41.51 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -99.53 125.52 45.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.949 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.772 ' HB2' ' CE2' ' A' ' 13' ' ' TRP . . . -62.71 -43.39 98.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.3 m -57.13 -56.64 19.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.4 m -43.17 -43.75 4.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.804 HD13 ' CD2' ' A' ' 22' ' ' PHE . 14.2 tp -64.11 -46.35 84.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 -45.26 -44.27 11.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.444 ' O ' ' CG ' ' A' ' 33' ' ' ASN . 4.1 mm? -76.82 -41.02 45.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 33' ' ' ASN . 7.1 t60 -53.51 -48.9 68.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 31' ' ' HIS . 43.8 mt-30 -37.75 -27.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' HIS . 40.6 m-20 -52.86 -48.23 67.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.5 m -40.13 -27.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 33' ' ' ASN . 97.6 m-70 -88.62 33.86 0.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.421 ' N ' ' O ' ' A' ' 33' ' ' ASN . 93.6 t -135.0 78.62 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 158.78 -104.58 0.25 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.516 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 39' ' ' LYS . 8.1 mp0 -87.42 141.38 28.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.89 0.376 . . . . 0.0 110.903 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.466 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 30.9 mtpp 34.45 52.97 1.37 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.54 0.686 . . . . 0.0 110.857 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.5 Cg_endo -69.77 -5.32 15.93 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.718 2.279 . . . . 0.0 112.339 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.6 t 70.62 37.28 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.62 -70.93 1.19 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 131.49 21.25 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.668 2.245 . . . . 0.0 112.33 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.8 t -55.77 121.24 8.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 90.7 p -174.06 170.79 3.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.846 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.132 -0.816 . . . . 0.0 112.507 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -143.56 168.27 20.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.878 0.37 . . . . 0.0 110.839 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.5 t -64.99 155.04 35.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.87 -107.31 3.0 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.4 p -46.83 124.12 5.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 110.805 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.5 p -91.76 42.18 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.61 98.73 2.47 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -124.19 157.2 35.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.812 0.339 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.99 44.87 56.59 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.442 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -69.38 107.94 3.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.951 0.405 . . . . 0.0 110.911 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -69.74 94.1 0.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.0 p -151.28 109.44 3.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.172 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.609 ' CD1' ' N ' ' A' ' 25' ' ' ALA . 28.9 m95 -111.81 87.39 2.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.941 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -87.75 153.49 21.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.9 t -83.58 179.48 7.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -101.83 -52.75 3.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -73.55 -73.57 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.411 ' O ' ' CG ' ' A' ' 19' ' ' ASP . 14.9 p -70.93 -11.1 60.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.411 ' CG ' ' O ' ' A' ' 18' ' ' CYS . 6.0 p-10 46.34 46.85 13.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.415 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 4.2 tpp -93.7 142.59 27.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.0 m -85.68 140.1 30.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.461 ' CD1' HD13 ' A' ' 28' ' ' LEU . 95.7 m-85 -136.25 131.58 34.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.7 m -84.53 36.48 0.59 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -165.76 106.25 0.72 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.609 ' N ' ' CD1' ' A' ' 13' ' ' TRP . . . -45.7 -53.25 9.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.082 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 76.4 p -58.55 -43.44 89.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.894 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.7 t -55.02 -42.24 72.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.814 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.461 HD13 ' CD1' ' A' ' 22' ' ' PHE . 43.2 tp -68.83 -46.59 68.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.6 mtp85 -52.59 -48.34 66.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.417 ' O ' ' CG ' ' A' ' 33' ' ' ASN . 96.5 mt -68.62 -47.79 65.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.74 ' O ' HG22 ' A' ' 34' ' ' VAL . 10.0 t60 -46.25 -51.9 13.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -41.76 -28.56 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.417 ' CG ' ' O ' ' A' ' 30' ' ' LEU . 65.9 m-20 -48.16 -43.58 31.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.74 HG22 ' O ' ' A' ' 31' ' ' HIS . 33.4 m -56.35 -36.17 45.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -67.88 -46.93 70.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.662 HG13 ' O ' ' A' ' 36' ' ' VAL . 1.9 p -91.11 27.55 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -143.88 129.68 3.75 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -166.41 125.04 1.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.913 0.387 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.7 ptmm? -147.4 143.88 18.7 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.559 0.695 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 -170.65 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.733 2.289 . . . . 0.0 112.345 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.6 m -107.41 130.33 54.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.797 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.47 ' N ' ' HD2' ' A' ' 43' ' ' PRO . . . 133.02 -59.93 0.68 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.47 ' HD2' ' N ' ' A' ' 42' ' ' GLY . 53.5 Cg_endo -69.77 2.76 3.25 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.664 2.243 . . . . 0.0 112.343 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 43' ' ' PRO . 12.4 m -34.64 120.49 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 46' ' ' GLY . 65.3 m -73.95 -47.61 36.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 45' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.123 -0.821 . . . . 0.0 112.528 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -168.9 140.51 2.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.865 0.364 . . . . 0.0 110.837 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.9 p -151.2 150.8 31.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.11 88.09 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.479 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 t -94.23 119.66 33.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.84 0.353 . . . . 0.0 110.877 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.2 p -122.88 116.54 23.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.34 -135.2 3.05 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.507 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.4 mtt -156.6 137.91 13.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.833 0.349 . . . . 0.0 110.836 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.417 ' C ' ' CD ' ' A' ' 10' ' ' GLU . . . -65.86 -134.31 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.417 ' CD ' ' C ' ' A' ' 9' ' ' GLY . 42.3 mp0 -150.71 123.62 8.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.944 0.402 . . . . 0.0 110.867 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.407 ' NZ ' ' HB2' ' A' ' 11' ' ' LYS . 3.5 ttmp? -78.76 58.66 2.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.6 p -135.01 103.51 5.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.603 ' HB3' HD22 ' A' ' 28' ' ' LEU . 22.9 m95 -111.77 84.97 2.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -85.65 156.55 20.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.3 t -92.86 128.68 38.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.65 16.56 1.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.55 ' OE1' ' CG ' ' A' ' 35' ' ' HIS . 54.1 mt-10 -119.41 -54.74 2.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.7 p -105.55 -10.52 16.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.2 t0 67.1 43.16 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 38.8 mtm -105.68 137.86 42.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.2 m -85.8 148.76 25.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.463 ' CD1' HD13 ' A' ' 28' ' ' LEU . 16.9 m-85 -136.33 112.03 9.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.7 m -48.03 -39.67 20.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.859 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -108.09 143.0 37.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.523 ' HB2' ' CE2' ' A' ' 13' ' ' TRP . . . -73.01 -45.25 58.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 84.4 p -51.84 -49.72 62.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.816 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.4 t -52.68 -43.2 65.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.603 HD22 ' HB3' ' A' ' 13' ' ' TRP . 20.3 tp -61.17 -49.98 75.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -46.72 -45.1 19.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.401 ' C ' ' N ' ' A' ' 32' ' ' GLN . 9.3 mt -73.93 -49.48 24.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.469 ' O ' HG22 ' A' ' 34' ' ' VAL . 14.5 t60 -46.84 -20.18 0.13 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.401 ' N ' ' C ' ' A' ' 30' ' ' LEU . 81.9 mt-30 -82.73 24.62 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -115.53 7.66 14.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 31' ' ' HIS . 33.3 m -110.01 -29.3 2.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.171 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.55 ' CG ' ' OE1' ' A' ' 17' ' ' GLU . 56.7 m-70 -59.49 -16.23 22.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.506 ' O ' HG22 ' A' ' 36' ' ' VAL . 9.5 p -87.97 22.84 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -86.05 -117.49 0.97 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.525 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -152.59 118.77 5.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.923 0.392 . . . . 0.0 110.892 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.452 ' HE2' ' CD ' ' A' ' 40' ' ' PRO . 1.6 mmpt? -142.31 155.92 64.36 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.59 0.71 . . . . 0.0 110.921 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.452 ' CD ' ' HE2' ' A' ' 39' ' ' LYS . 53.9 Cg_endo -69.79 164.32 34.99 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.676 2.251 . . . . 0.0 112.313 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 93.2 p -70.25 86.09 0.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.836 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -149.94 -76.39 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.517 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -10.48 28.66 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.372 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.1 m -118.4 142.97 47.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 73.8 m -76.69 -55.26 5.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.516 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.4 t -78.91 153.76 30.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.895 0.379 . . . . 0.0 110.869 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 m -112.21 -47.28 3.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.71 -89.93 1.25 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m -154.38 155.59 35.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.902 0.382 . . . . 0.0 110.867 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.5 p -114.12 116.76 29.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.906 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.86 69.43 0.96 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.529 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 32.5 mmm -83.16 106.22 14.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.81 0.338 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 161.23 101.33 0.16 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -101.25 83.18 2.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.935 0.398 . . . . 0.0 110.919 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -55.11 97.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.6 p -148.11 119.3 7.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.835 ' NE1' ' HB2' ' A' ' 25' ' ' ALA . 32.4 m95 -121.25 91.64 3.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.8 133.86 35.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.562 ' HA ' HD11 ' A' ' 28' ' ' LEU . 1.8 t -56.59 -176.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.803 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -113.77 -12.12 12.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.853 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -113.69 -73.1 0.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.0 p -75.96 -13.28 60.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.42 35.39 12.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.575 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 15.5 ttm -77.36 154.95 32.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.0 p -98.66 137.3 37.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.807 ' CD1' HD13 ' A' ' 28' ' ' LEU . 50.8 m-85 -135.45 128.13 30.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 m -70.01 -38.96 76.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.436 ' CD ' ' HB2' ' A' ' 27' ' ' SER . 2.4 pt20 -96.7 95.44 7.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.835 ' HB2' ' NE1' ' A' ' 13' ' ' TRP . . . -41.6 -30.22 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.096 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.7 p -67.73 -48.1 67.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.436 ' HB2' ' CD ' ' A' ' 24' ' ' GLN . 13.7 t -54.62 -45.53 73.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.807 HD13 ' CD1' ' A' ' 22' ' ' PHE . 15.6 tp -53.19 -56.43 16.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.4 mtt180 -41.76 -46.5 3.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.6 tp -74.18 -40.5 62.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.819 ' O ' HG22 ' A' ' 34' ' ' VAL . 20.6 t60 -48.61 -49.87 35.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 31' ' ' HIS . 12.9 mt-30 -34.74 -35.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 31' ' ' HIS . 2.5 m-80 -45.53 -51.66 11.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.819 HG22 ' O ' ' A' ' 31' ' ' HIS . 27.7 m -40.57 -29.76 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 37.8 m-70 -78.72 -46.01 19.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 87.3 t -40.99 105.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.22 42.43 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.473 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -77.61 155.24 31.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.894 0.378 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt -133.62 158.17 76.21 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.547 0.689 . . . . 0.0 110.926 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 172.33 12.82 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.694 2.263 . . . . 0.0 112.33 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.6 m -124.75 86.02 2.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.848 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.32 74.78 1.25 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.498 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -176.05 1.34 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.68 2.253 . . . . 0.0 112.379 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.7 t -88.67 88.63 7.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.0 m 44.09 42.11 4.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.473 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.6 p -107.92 127.75 54.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.853 0.358 . . . . 0.0 110.897 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.3 p -137.03 173.42 11.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -42.9 134.23 4.72 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.468 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.7 p -143.94 119.78 10.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.871 0.367 . . . . 0.0 110.863 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.8 p -69.62 118.42 12.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.23 142.28 14.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.474 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -67.49 137.71 56.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.829 0.347 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.12 101.28 0.94 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.45 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -138.08 113.01 9.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.909 0.385 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.7 ptmm? -105.74 117.08 33.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.7 p -152.95 109.99 3.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.192 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 22.5 m95 -111.07 84.96 2.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.947 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -80.33 173.95 12.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.5 t -113.74 125.11 53.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -84.41 27.91 0.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -130.76 -47.63 1.04 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -112.78 -7.97 13.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 59.1 t0 67.31 39.4 3.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.59 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 11.8 tpp -102.02 148.93 24.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.44 ' N ' ' HG3' ' A' ' 20' ' ' MET . 80.4 m -96.16 133.79 40.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.59 ' CZ ' ' HG2' ' A' ' 20' ' ' MET . 97.5 m-85 -131.5 119.36 21.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.1 m -83.08 20.36 1.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -145.3 113.92 6.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.2 -52.8 50.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.082 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.2 p -57.46 -43.54 84.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.5 m -55.2 -53.07 60.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.815 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.7 tp -52.62 -47.98 66.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -61.98 -45.04 95.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.443 ' O ' ' CG ' ' A' ' 33' ' ' ASN . 28.9 tp -68.43 -18.57 64.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.791 ' O ' HG22 ' A' ' 34' ' ' VAL . 6.7 t60 -86.16 -40.68 15.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -51.32 -24.69 4.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.455 ' OD1' HG13 ' A' ' 34' ' ' VAL . 47.6 p30 -55.44 -19.8 10.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.791 HG22 ' O ' ' A' ' 31' ' ' HIS . 19.2 m -81.68 -24.79 9.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 36' ' ' VAL . 55.4 m-70 -78.94 -54.6 5.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 35' ' ' HIS . 6.1 p -36.4 124.84 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.114 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.53 -148.1 8.55 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -142.09 169.36 17.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.939 0.399 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -132.83 155.78 80.8 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.585 0.707 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 160.2 50.58 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.653 2.235 . . . . 0.0 112.328 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.6 t -93.49 85.14 4.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.08 64.84 1.03 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.478 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 82.23 0.76 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.72 2.28 . . . . 0.0 112.349 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.2 m -95.53 -42.95 8.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.867 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 46' ' ' GLY . 68.5 m -79.09 159.15 27.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 45' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.473 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m -82.12 46.27 1.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.822 0.344 . . . . 0.0 110.854 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -165.25 127.94 2.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.69 87.74 0.31 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.521 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.0 t -115.67 128.44 55.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.892 0.377 . . . . 0.0 110.832 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.4 m -146.44 155.01 42.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.22 149.27 8.72 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.464 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 37.67 43.13 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 65.26 -174.07 17.94 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.493 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -118.97 -18.85 8.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.945 0.402 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -46.29 129.28 10.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.2 p -155.37 110.38 2.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.602 ' HB3' HD22 ' A' ' 28' ' ' LEU . 38.0 m95 -108.24 92.37 4.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.3 mmmm -88.35 161.92 16.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.888 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -90.55 -178.69 5.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.444 ' NH2' ' NE2' ' A' ' 32' ' ' GLN . 41.2 mtm-85 -100.6 -55.87 2.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -72.83 -73.82 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.445 ' C ' ' CG ' ' A' ' 19' ' ' ASP . 24.9 p -74.88 -10.26 59.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.445 ' CG ' ' C ' ' A' ' 18' ' ' CYS . 0.2 OUTLIER 48.5 44.22 20.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.534 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -79.72 140.68 36.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.5 p -86.44 136.38 33.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.534 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 93.5 m-85 -130.68 143.21 50.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.8 t -82.33 -35.27 28.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -106.27 128.11 53.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.14 -48.71 80.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.1 m -50.75 -45.11 58.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.837 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 34.0 t -58.0 -40.74 81.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.817 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.602 HD22 ' HB3' ' A' ' 13' ' ' TRP . 6.0 tp -64.25 -55.3 22.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.8 mtm105 -47.85 -43.17 28.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.401 HD23 ' N ' ' A' ' 31' ' ' HIS . 0.3 OUTLIER -75.56 -34.82 60.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.641 ' O ' HG22 ' A' ' 34' ' ' VAL . 23.0 t60 -69.16 -21.03 64.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.444 ' NE2' ' NH2' ' A' ' 16' ' ' ARG . 94.0 mt-30 -83.98 23.25 1.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.931 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -121.56 -3.36 9.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.641 HG22 ' O ' ' A' ' 31' ' ' HIS . 29.9 m -87.09 -29.54 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.141 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -62.2 -56.41 18.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.499 HG13 ' O ' ' A' ' 36' ' ' VAL . 12.8 p -41.25 122.96 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.55 93.57 0.25 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.505 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -174.22 116.81 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.907 0.384 . . . . 0.0 110.844 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -115.43 143.62 30.8 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.571 0.701 . . . . 0.0 110.919 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 2.77 3.21 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.634 2.223 . . . . 0.0 112.379 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.0 p 56.21 39.05 30.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.54 -73.09 1.08 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.524 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 168.87 20.36 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.676 2.251 . . . . 0.0 112.341 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.3 m -126.49 48.37 2.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.842 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.8 t -126.65 103.5 7.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.838 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 CA-C-O 119.177 -0.791 . . . . 0.0 112.489 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t 67.05 42.27 2.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.903 0.383 . . . . 0.0 110.837 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -111.02 155.0 23.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.816 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.91 -173.11 30.38 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.5 t -120.48 96.66 5.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.899 0.38 . . . . 0.0 110.886 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.6 t -134.47 97.54 3.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.8 -75.25 1.23 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.504 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 38.2 mmt -46.11 128.16 9.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.837 0.351 . . . . 0.0 110.846 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.03 124.01 6.78 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.466 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.677 ' OE1' HG23 ' A' ' 12' ' ' THR . 1.2 tm-20 -60.57 102.38 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.923 0.392 . . . . 0.0 110.868 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -40.42 93.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.677 HG23 ' OE1' ' A' ' 10' ' ' GLU . 2.0 p -138.4 109.69 6.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.48 ' CD1' ' N ' ' A' ' 25' ' ' ALA . 25.2 m95 -116.77 79.99 1.41 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.485 ' CB ' ' HA ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -109.51 160.73 15.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.92 179.887 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.3 t -76.56 170.17 16.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.63 19.62 17.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -134.69 -58.9 0.81 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.6 p -85.24 -15.49 43.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.2 t70 64.15 46.08 3.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.421 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 78.1 mtp -106.62 110.32 22.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.485 ' HA ' ' CB ' ' A' ' 14' ' ' LYS . 14.1 t -73.5 144.22 46.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.839 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.549 ' CD1' HD13 ' A' ' 28' ' ' LEU . 88.7 m-85 -131.83 101.78 5.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 22' ' ' PHE . 2.7 t -34.25 -40.93 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.858 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -106.27 135.04 48.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.48 ' N ' ' CD1' ' A' ' 13' ' ' TRP . . . -65.51 -47.3 76.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.9 m -48.57 -48.44 38.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 38.1 m -53.71 -43.17 68.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.549 HD13 ' CD1' ' A' ' 22' ' ' PHE . 36.1 tp -65.41 -44.0 88.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 70.1 mtt180 -48.7 -46.93 41.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.5 mt -67.48 -40.01 85.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.718 ' O ' HG22 ' A' ' 34' ' ' VAL . 7.3 t60 -61.84 -35.99 79.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.817 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -50.86 -18.1 0.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -84.54 25.86 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.718 HG22 ' O ' ' A' ' 31' ' ' HIS . 34.7 m -108.79 -37.06 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.181 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -89.22 31.94 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.4 p -128.45 129.91 69.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.96 81.82 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.477 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -70.14 161.93 29.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.944 0.402 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.49 126.04 5.7 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.581 0.705 . . . . 0.0 110.887 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 2.58 3.44 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.673 2.249 . . . . 0.0 112.35 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.7 m 63.22 54.94 1.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 122.98 67.66 0.22 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -44.49 2.02 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.659 2.239 . . . . 0.0 112.348 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 84.3 p -98.1 106.6 18.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.4 p -101.74 -51.65 3.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 CA-C-O 119.161 -0.799 . . . . 0.0 112.487 -179.954 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 3' ' ' SER . 52.3 p -108.01 -43.59 4.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.897 0.379 . . . . 0.0 110.893 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 2' ' ' SER . 18.8 m -37.77 -58.06 0.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.846 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.14 174.14 17.45 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.464 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.5 m -162.28 139.57 8.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.862 0.363 . . . . 0.0 110.896 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -62.29 138.28 58.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.78 50.75 0.15 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.5 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.0 mtt -79.05 158.9 27.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.759 0.314 . . . . 0.0 110.938 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.33 -61.64 0.77 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -53.51 128.99 30.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.932 0.396 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -70.61 126.17 28.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.4 p -141.54 106.88 5.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.569 ' CD1' ' N ' ' A' ' 25' ' ' ALA . 37.9 m95 -110.86 107.22 16.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.927 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.51 ' C ' HD11 ' A' ' 28' ' ' LEU . 19.4 mtpp -104.98 167.96 9.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -98.18 -179.39 4.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.404 ' HD3' ' C ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -111.26 -55.9 2.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -58.69 -67.46 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.5 p -79.85 -30.26 40.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.8 t0 73.49 34.92 0.92 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.2 ttp -77.49 167.65 21.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.3 m -120.53 134.74 55.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -128.84 174.85 9.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.9 p -98.13 -45.24 6.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -107.46 138.96 42.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.952 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.569 ' N ' ' CD1' ' A' ' 13' ' ' TRP . . . -65.49 -50.62 64.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.5 p -43.39 -43.34 5.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.1 m -63.42 -43.29 97.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.523 HD22 HH12 ' A' ' 29' ' ' ARG . 5.2 tt -62.33 -51.94 65.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.523 HH12 HD22 ' A' ' 28' ' ' LEU . 17.9 mmt-85 -43.19 -48.8 6.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 tt -70.33 -48.62 55.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.487 ' O ' ' N ' ' A' ' 33' ' ' ASN . 5.0 t60 -46.66 -49.61 18.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.423 ' HG3' HD23 ' A' ' 28' ' ' LEU . 46.8 mt-30 -38.92 -26.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 31' ' ' HIS . 73.5 m-20 -49.2 -47.69 45.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.6 m -40.38 -28.22 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.151 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -91.04 34.83 0.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.826 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 33' ' ' ASN . 40.8 t -112.29 127.33 69.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.158 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.11 139.91 46.41 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.479 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -132.3 -38.22 1.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.901 0.381 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.9 tttp -43.52 131.64 3.74 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.598 0.714 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 152.11 69.27 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.664 2.243 . . . . 0.0 112.354 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -92.11 83.09 5.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 169.19 -78.57 0.1 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.482 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 94.22 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.716 2.277 . . . . 0.0 112.313 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.7 m -102.78 93.3 5.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.0 t -117.9 137.5 52.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.836 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.173 -0.793 . . . . 0.0 112.483 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.5 t -96.92 -65.39 0.97 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.868 0.366 . . . . 0.0 110.859 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.6 p -123.91 79.73 1.75 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.55 53.67 19.86 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.499 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.8 p -112.54 41.89 1.94 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.895 0.378 . . . . 0.0 110.847 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -55.12 -61.42 2.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.38 -65.97 3.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.518 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.1 mmt -41.57 159.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.781 0.324 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.07 125.25 8.42 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -110.46 40.81 1.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.919 0.39 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.409 ' O ' HG23 ' A' ' 12' ' ' THR . 6.6 ptpp? -67.93 118.61 11.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 11' ' ' LYS . 1.5 p -155.69 118.18 4.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.481 ' O ' HD12 ' A' ' 28' ' ' LEU . 20.2 m95 -118.46 98.65 6.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.6 ptmm? -117.81 160.77 20.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.45 ' SG ' ' CD ' ' A' ' 17' ' ' GLU . 43.8 t -97.21 131.71 43.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.411 ' N ' ' OE1' ' A' ' 17' ' ' GLU . 13.4 mmt85 -90.92 32.73 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.829 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.45 ' CD ' ' SG ' ' A' ' 15' ' ' CYS . 1.8 mp0 -131.21 -57.12 1.02 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.6 p -94.7 -13.41 25.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 74.23 54.45 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.1 mmm -118.91 159.22 24.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.8 p -131.33 137.88 48.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -129.42 154.88 46.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 92.1 p -79.76 -45.67 18.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -104.38 139.94 38.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.39 -46.07 77.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.4 m -44.64 -46.49 10.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.864 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.7 m -60.18 -41.75 93.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 13' ' ' TRP . 3.9 tt -62.35 -58.07 9.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 28' ' ' LEU . 12.6 mtp180 -36.92 -49.36 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.5 mt -64.42 -42.73 95.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.987 ' O ' HG22 ' A' ' 34' ' ' VAL . 8.6 t60 -53.96 -46.22 71.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -40.22 -26.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.958 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 31' ' ' HIS . 4.6 m-20 -56.9 -45.96 82.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.987 HG22 ' O ' ' A' ' 31' ' ' HIS . 24.5 m -51.36 -19.75 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -97.38 -48.35 5.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 98.8 t -55.47 118.9 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -94.8 -68.55 1.04 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 60.64 43.43 12.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.893 0.378 . . . . 0.0 110.832 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.85 142.41 25.18 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.602 0.715 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -177.37 1.83 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.386 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 99.8 p -46.63 -45.61 19.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 125.38 116.66 2.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.48 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -3.99 13.16 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.647 2.231 . . . . 0.0 112.35 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.1 t -64.53 -59.25 4.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 34.6 t -156.84 125.54 5.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.873 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.498 -179.954 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.4 p -130.71 157.13 43.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.899 0.381 . . . . 0.0 110.839 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -129.52 95.07 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.91 110.84 3.4 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.473 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 6' ' ' SER . 25.1 t -76.57 156.02 33.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.873 0.368 . . . . 0.0 110.827 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 5' ' ' SER . 80.5 p 36.24 46.43 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.904 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.55 35.24 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.441 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.9 ptt? -127.79 -34.27 2.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.819 0.342 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.25 86.42 1.88 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.452 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -98.75 48.88 0.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.898 0.38 . . . . 0.0 110.907 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.5 pttm -66.68 147.0 53.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.434 ' O ' ' CE3' ' A' ' 13' ' ' TRP . 1.7 t -175.35 145.99 0.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.434 ' CE3' ' O ' ' A' ' 12' ' ' THR . 21.9 m95 -135.04 85.85 2.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -68.26 153.72 43.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -91.23 -177.1 4.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 79.2 mtt-85 -105.01 -59.59 1.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.9 mp0 -63.07 -71.26 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.9 p -75.32 -25.06 57.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.7 t70 65.8 37.18 5.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.572 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 2.7 tmm? -85.61 145.72 27.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.2 p -87.84 134.43 33.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.572 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 87.3 m-85 -130.15 120.42 24.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.5 t -62.02 -36.16 80.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -97.82 125.66 42.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.433 ' N ' ' CD1' ' A' ' 13' ' ' TRP . . . -65.18 -46.16 81.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.3 m -56.76 -42.42 79.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.852 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.0 t -57.8 -42.63 84.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.409 HD13 ' CD1' ' A' ' 22' ' ' PHE . 12.1 tp -62.84 -44.22 96.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.921 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.5 mtp85 -51.56 -47.0 63.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.0 mt -76.28 -43.91 39.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.465 ' CD2' ' CZ ' ' A' ' 22' ' ' PHE . 11.3 t60 -52.98 -18.4 1.96 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -84.04 23.83 0.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -99.27 -37.81 9.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.418 HG23 ' N ' ' A' ' 35' ' ' HIS . 32.7 m -60.58 -39.47 81.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.181 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.418 ' N ' HG23 ' A' ' 34' ' ' VAL . 66.1 m-70 -58.69 -41.65 86.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.81 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.2 p -83.49 126.02 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 174.47 -54.92 0.14 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.474 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -45.42 141.57 2.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.888 0.375 . . . . 0.0 110.921 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.3 pttm -88.27 147.94 41.43 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.617 0.722 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 164.43 34.59 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.692 2.262 . . . . 0.0 112.325 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -79.68 -49.31 12.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.831 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 178.11 92.93 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.514 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 126.11 12.95 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.653 2.235 . . . . 0.0 112.368 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.4 t -41.28 -56.51 2.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.3 p -96.21 137.61 35.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.112 -0.827 . . . . 0.0 112.501 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.8 t -131.8 142.59 49.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.863 0.364 . . . . 0.0 110.845 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -100.23 168.72 9.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.851 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.19 110.78 0.48 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.488 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.6 t -67.59 -53.78 25.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.889 0.375 . . . . 0.0 110.864 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.5 p -40.17 160.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.871 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.76 -63.95 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.499 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.39 -31.63 11.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.812 0.339 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.29 156.06 7.23 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.464 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -119.21 102.98 9.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.909 0.385 . . . . 0.0 110.864 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -71.94 116.69 12.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 t -175.52 146.86 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.118 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.461 ' CD1' ' C ' ' A' ' 24' ' ' GLN . 30.1 m95 -133.84 104.55 6.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.485 ' HD3' ' CB ' ' A' ' 21' ' ' CYS . 30.7 mmtt -84.9 168.11 15.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.1 t -109.56 172.86 6.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -106.8 -28.24 10.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.401 ' HG3' ' CB ' ' A' ' 35' ' ' HIS . 6.8 mm-40 -90.77 -67.41 0.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.443 ' O ' ' CG ' ' A' ' 19' ' ' ASP . 29.7 p -86.71 -3.66 59.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 18' ' ' CYS . 2.7 p30 50.35 36.26 12.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.509 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 17.1 tpp -84.36 142.94 29.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.485 ' CB ' ' HD3' ' A' ' 14' ' ' LYS . 17.8 p -97.56 140.53 31.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.509 ' CZ ' ' HG2' ' A' ' 20' ' ' MET . 95.5 m-85 -131.37 173.26 11.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.1 p -105.87 -42.74 5.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.461 ' C ' ' CD1' ' A' ' 13' ' ' TRP . 37.9 mt-30 -92.7 131.9 37.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.428 ' N ' ' NE1' ' A' ' 13' ' ' TRP . . . -64.63 -48.12 76.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.7 p -53.64 -25.29 17.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.412 ' O ' ' CB ' ' A' ' 31' ' ' HIS . 22.8 t -79.21 -47.49 15.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.854 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.602 HD13 ' C ' ' A' ' 28' ' ' LEU . 3.0 tm? -68.64 -51.63 40.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 -47.61 -51.16 22.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.483 HD12 ' ND2' ' A' ' 33' ' ' ASN . 27.7 tp -75.07 -42.57 56.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.964 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.487 ' O ' HG22 ' A' ' 34' ' ' VAL . 9.7 t60 -51.29 -17.41 0.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -82.68 17.93 1.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.483 ' ND2' HD12 ' A' ' 30' ' ' LEU . 54.1 m-20 -116.6 12.22 14.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 31' ' ' HIS . 30.6 m -99.97 -27.8 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.401 ' CB ' ' HG3' ' A' ' 17' ' ' GLU . 52.1 m-70 -83.78 22.31 1.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 37' ' ' GLY . 9.9 p -91.32 -38.21 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 36' ' ' VAL . . . -34.37 -85.1 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -170.2 146.68 3.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.88 0.371 . . . . 0.0 110.918 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.416 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 19.7 ttmt -151.22 137.73 11.48 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.527 0.68 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.416 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.6 Cg_endo -69.74 169.08 19.72 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.339 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.455 ' O ' ' C ' ' A' ' 42' ' ' GLY . 2.9 m -47.51 135.23 11.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 41' ' ' SER . . . -32.9 96.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.453 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.431 ' N ' ' O ' ' A' ' 41' ' ' SER . 53.7 Cg_endo -69.74 -49.71 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.679 2.252 . . . . 0.0 112.39 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.8 m -104.5 -48.74 3.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.7 t -132.28 -55.62 0.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.873 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.495 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 t -111.17 131.83 54.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.845 0.355 . . . . 0.0 110.872 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.6 p -151.67 149.53 29.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.27 -142.94 16.35 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.472 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m 45.17 50.57 9.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.872 0.368 . . . . 0.0 110.849 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -113.58 144.08 43.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.82 137.17 2.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.46 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -112.91 160.84 17.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.911 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -158.52 -69.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.521 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -49.1 128.69 16.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 71.6 tttt -74.37 133.38 42.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.0 t -175.89 147.14 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.16 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.561 ' CD1' ' HA ' ' A' ' 25' ' ' ALA . 31.4 m95 -133.48 105.24 6.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.8 mttt -86.63 162.99 17.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.4 t -101.33 169.0 9.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.435 ' HG3' ' CD ' ' A' ' 17' ' ' GLU . 5.3 ptm180 -99.97 -24.31 14.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.435 ' CD ' ' HG3' ' A' ' 16' ' ' ARG . 30.8 mp0 -96.8 -73.26 0.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.463 ' C ' ' CG ' ' A' ' 19' ' ' ASP . 30.6 p -77.37 -5.76 50.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.463 ' CG ' ' C ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER 49.02 39.3 14.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 19.4 tpp -86.94 139.08 30.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 33.3 m -92.01 137.09 32.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.49 ' CD2' HD23 ' A' ' 28' ' ' LEU . 97.9 m-85 -126.66 179.17 5.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.3 p -113.59 -42.19 3.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.811 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -94.86 127.71 41.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.561 ' HA ' ' CD1' ' A' ' 13' ' ' TRP . . . -61.88 -43.88 97.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.7 t -57.66 -30.45 65.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.8 m -75.83 -45.29 36.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.514 HD13 ' C ' ' A' ' 28' ' ' LEU . 2.3 tm? -67.34 -51.19 55.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 53.7 mtt-85 -50.43 -52.59 36.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.1 tp -71.51 -32.08 67.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 24.6 t60 -62.67 -20.03 64.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -84.28 25.47 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -105.19 -28.89 10.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.4 m -66.43 -37.59 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 -71.15 -57.31 4.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.43 HG13 ' O ' ' A' ' 36' ' ' VAL . 9.1 p -61.0 125.24 16.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 171.93 -112.55 0.45 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.526 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 39' ' ' LYS . 5.4 tp10 63.34 38.1 10.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.879 0.371 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 38' ' ' GLU . 10.0 tmtt? -36.36 122.83 0.75 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.557 0.694 . . . . 0.0 110.928 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 122.33 9.01 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.7 2.267 . . . . 0.0 112.338 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 42' ' ' GLY . 86.0 p -65.88 -36.53 83.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 41' ' ' SER . . . -36.21 -72.2 0.15 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.503 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 162.41 42.19 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.697 2.265 . . . . 0.0 112.314 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.7 m -78.53 164.17 24.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 47.2 t -92.46 149.94 21.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.536 -179.919 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.9 p 41.06 42.13 1.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.824 0.345 . . . . 0.0 110.849 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 t -154.97 113.85 3.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.1 102.54 0.16 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.3 m -127.82 128.56 45.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.835 0.35 . . . . 0.0 110.843 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.6 t -48.0 -53.19 17.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.27 166.68 10.75 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.1 ptt? -67.16 -45.47 76.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.349 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 74.07 -107.93 2.38 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.545 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -83.38 127.31 33.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.949 0.404 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.9 pttp -44.16 135.22 4.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.6 p -144.24 120.0 10.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.178 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.566 ' HB3' HD22 ' A' ' 28' ' ' LEU . 16.3 m95 -126.11 94.14 4.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.443 ' CB ' ' HA ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -114.1 163.47 15.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -83.04 -178.53 7.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -102.51 -54.14 2.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -64.54 -70.82 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 19' ' ' ASP . 24.7 p -68.26 -13.77 62.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.421 ' CG ' ' O ' ' A' ' 18' ' ' CYS . 1.4 p30 51.36 25.17 2.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.6 tmm? -81.25 135.02 35.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.443 ' HA ' ' CB ' ' A' ' 14' ' ' LYS . 7.1 t -86.37 147.69 25.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -130.92 124.45 31.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.7 p -53.16 -41.84 65.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -97.43 150.41 21.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.51 ' HB2' ' NE1' ' A' ' 13' ' ' TRP . . . -82.11 -47.5 12.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 t -57.2 -46.29 83.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.0 t -54.94 -36.56 65.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.566 HD22 ' HB3' ' A' ' 13' ' ' TRP . 12.9 tp -64.31 -46.07 85.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.938 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.6 mtt85 -55.91 -50.59 70.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.589 HD12 ' ND2' ' A' ' 33' ' ' ASN . 16.0 tp -64.15 -50.58 67.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.725 ' O ' HG22 ' A' ' 34' ' ' VAL . 5.7 t60 -42.89 -51.05 5.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 31' ' ' HIS . 56.2 mt-30 -34.5 -36.47 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.589 ' ND2' HD12 ' A' ' 30' ' ' LEU . 68.1 m-20 -44.62 -51.77 8.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.725 HG22 ' O ' ' A' ' 31' ' ' HIS . 35.5 m -38.03 -38.1 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 36' ' ' VAL . 63.5 m-70 -75.9 -52.65 9.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.842 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 35' ' ' HIS . 97.0 t -36.8 -46.43 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.68 -150.59 9.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -99.24 177.48 5.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.366 . . . . 0.0 110.892 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.3 mtmp? -82.87 119.49 74.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.611 0.719 . . . . 0.0 110.956 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -176.1 1.37 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.66 2.24 . . . . 0.0 112.356 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 m -93.64 29.03 2.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.89 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.06 -78.37 0.8 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.472 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 123.23 9.89 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.707 2.271 . . . . 0.0 112.349 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.3 m -60.05 144.83 48.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 43.3 t -53.82 156.28 2.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.826 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.52 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 t -117.32 128.62 55.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.922 0.392 . . . . 0.0 110.852 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t -46.17 170.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.797 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.5 -165.34 39.34 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.478 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.3 p -148.93 153.65 38.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.859 0.362 . . . . 0.0 110.816 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -94.86 82.33 3.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.51 97.12 0.11 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.493 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.5 ptp -115.84 41.52 2.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.894 0.378 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 75.56 118.22 0.12 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.522 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -89.03 129.95 35.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.949 0.404 . . . . 0.0 110.885 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -79.14 134.48 36.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.565 ' O ' ' CE3' ' A' ' 13' ' ' TRP . 2.2 t -175.13 146.9 0.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.189 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.857 ' HB3' HD22 ' A' ' 28' ' ' LEU . 17.2 m95 -137.82 105.56 5.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.958 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -82.76 146.23 29.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.0 t -76.57 178.77 6.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -97.62 -36.3 10.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.516 ' CG ' ' N ' ' A' ' 18' ' ' CYS . 1.4 tt0 -93.97 -73.3 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.516 ' N ' ' CG ' ' A' ' 17' ' ' GLU . 24.7 p -69.95 -9.36 54.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.453 ' CG ' ' O ' ' A' ' 18' ' ' CYS . 2.3 p30 50.67 30.53 4.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.7 ttp -74.29 134.73 42.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.4 p -86.08 138.61 31.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.834 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.456 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 36.5 m-85 -121.68 -175.79 3.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.6 m -111.97 -43.32 3.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.417 ' C ' ' CD1' ' A' ' 13' ' ' TRP . 42.7 mt-30 -109.21 130.06 55.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.562 ' N ' ' NE1' ' A' ' 13' ' ' TRP . . . -52.55 -50.01 63.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.158 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.3 m -51.43 -45.69 62.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.7 m -57.41 -45.62 84.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.857 HD22 ' HB3' ' A' ' 13' ' ' TRP . 10.3 tp -66.22 -50.12 64.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -47.02 -49.54 20.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 67.1 mt -71.32 -38.08 71.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.496 ' O ' HG22 ' A' ' 34' ' ' VAL . 22.1 t60 -61.15 -16.15 41.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -82.76 18.83 1.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -97.84 -30.36 12.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.496 HG22 ' O ' ' A' ' 31' ' ' HIS . 19.1 m -61.2 -33.56 56.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -88.28 35.33 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 84.9 t -121.98 -42.09 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.2 66.18 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -121.64 -35.95 3.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.907 0.384 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm -102.47 144.76 29.25 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.556 0.693 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 165.63 30.27 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.386 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.4 t -86.81 115.12 24.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 39.85 67.94 0.6 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.465 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -174.57 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.662 2.242 . . . . 0.0 112.327 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.7 p 43.41 42.44 3.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.1 m -60.91 157.93 14.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-O 119.202 -0.776 . . . . 0.0 112.484 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.4 m -127.5 140.87 51.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 0.0 110.877 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.0 m -113.94 135.95 53.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.53 -27.68 1.34 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.479 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.8 t -89.03 51.32 2.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 0.0 110.843 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.8 p -76.47 142.22 41.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.3 169.68 30.27 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.3 tmm? -95.15 -62.02 1.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.773 0.321 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 156.27 154.95 7.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.506 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.32 148.34 41.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.933 0.397 . . . . 0.0 110.86 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -69.14 85.07 0.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 p -154.33 105.55 2.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.18 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.988 ' CE2' ' HB2' ' A' ' 25' ' ' ALA . 5.1 m95 -109.25 108.0 18.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.0 129.23 46.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.409 ' SG ' ' NE2' ' A' ' 32' ' ' GLN . 15.4 t -53.59 165.91 0.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -99.93 -36.73 9.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -70.64 -73.14 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.451 ' O ' ' CG ' ' A' ' 19' ' ' ASP . 27.1 p -71.02 -5.66 32.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 18' ' ' CYS . 2.0 p30 51.36 26.11 2.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.2 ttp -83.3 142.09 31.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.2 p -100.16 148.22 24.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -127.52 178.65 5.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 87.1 p -105.61 -41.61 5.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -112.52 121.13 43.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.988 ' HB2' ' CE2' ' A' ' 13' ' ' TRP . . . -50.06 -45.73 52.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.6 p -50.2 -44.4 53.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.5 t -60.75 -37.7 82.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.438 HD13 ' HB3' ' A' ' 13' ' ' TRP . 6.4 tt -65.99 -51.5 57.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.7 mmm-85 -43.47 -48.28 7.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.38 -35.11 70.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -61.08 -15.8 36.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.409 ' NE2' ' SG ' ' A' ' 15' ' ' CYS . 34.7 mm-40 -83.32 20.21 1.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.7 m-20 -95.75 -17.74 20.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.1 m -84.78 -31.86 7.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.442 ' O ' ' C ' ' A' ' 36' ' ' VAL . 95.4 m-70 -78.08 -65.23 1.0 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.483 HG13 ' O ' ' A' ' 36' ' ' VAL . 7.1 p -34.67 125.19 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.7 135.34 6.89 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.44 170.31 8.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.91 0.386 . . . . 0.0 110.876 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.5 mttt -143.08 147.97 43.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.563 0.697 . . . . 0.0 110.916 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 171.93 13.56 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.694 2.262 . . . . 0.0 112.352 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.1 p -84.42 52.09 2.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.427 ' HA2' ' HD2' ' A' ' 43' ' ' PRO . . . 67.79 107.51 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.427 ' HD2' ' HA2' ' A' ' 42' ' ' GLY . 53.7 Cg_endo -69.8 176.06 7.3 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.697 2.265 . . . . 0.0 112.359 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.0 t -77.69 129.92 36.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 52.3 m -101.26 -57.9 1.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.847 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.181 -0.788 . . . . 0.0 112.475 -179.979 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -86.91 -46.21 10.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.897 0.379 . . . . 0.0 110.877 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.7 m 45.33 42.21 7.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.812 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.18 157.04 23.09 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 m -118.37 -46.05 2.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.858 0.361 . . . . 0.0 110.84 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.7 t -148.88 114.42 5.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.79 -108.33 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.508 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.9 ttp -44.96 -59.69 2.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.844 0.354 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 171.11 178.06 41.36 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.48 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -138.95 151.33 46.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.91 0.386 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.6 tttp -138.15 105.96 5.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 p -153.35 110.66 3.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.121 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.408 ' HB3' HD22 ' A' ' 28' ' ' LEU . 33.2 m95 -110.14 79.72 1.24 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.31 147.97 28.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.6 t -75.29 147.24 40.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.4 ptt85 -108.17 31.61 5.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -135.0 -52.97 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -91.37 -13.45 32.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.2 t0 74.67 42.0 0.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.85 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 47.8 mtp -110.86 160.75 16.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.2 p -121.77 144.63 48.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -139.09 150.05 45.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.9 m -108.64 27.86 8.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.819 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -151.56 109.68 3.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.969 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.55 -47.93 48.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -59.75 -44.59 93.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.7 t -58.54 -43.52 89.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.408 HD22 ' HB3' ' A' ' 13' ' ' TRP . 5.5 tp -71.28 -34.12 70.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -60.78 -34.04 73.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.6 mp -86.27 -40.14 15.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.799 ' O ' HG13 ' A' ' 34' ' ' VAL . 1.5 t60 -64.51 -45.0 89.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -52.8 -15.89 0.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -80.83 14.82 2.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.799 HG13 ' O ' ' A' ' 31' ' ' HIS . 16.4 m -98.66 -18.59 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.472 ' CE1' HG23 ' A' ' 34' ' ' VAL . 14.7 m-70 -106.48 30.74 5.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.3 p -152.07 145.48 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -44.38 135.14 6.32 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.473 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.473 ' C ' ' CD ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -80.67 44.52 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.927 0.394 . . . . 0.0 110.893 -179.885 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -92.38 109.38 37.72 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.602 0.715 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 153.42 68.7 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.671 2.247 . . . . 0.0 112.312 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.6 p -99.06 83.74 2.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.827 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 68.62 63.1 3.69 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.474 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -31.6 20.35 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.695 2.263 . . . . 0.0 112.37 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 83.7 p -113.81 172.14 7.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.5 m -78.98 137.2 37.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.152 -0.805 . . . . 0.0 112.496 -179.925 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.3 p -134.06 164.05 28.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.851 0.358 . . . . 0.0 110.874 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.8 m -62.51 148.58 45.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.42 -150.05 16.0 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 t -86.47 111.7 20.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.87 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.7 m -117.85 97.38 5.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.1 91.53 0.33 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.1 ptm -102.05 137.09 40.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.742 0.306 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.67 120.36 5.13 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.498 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -104.99 175.1 5.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.911 0.386 . . . . 0.0 110.9 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -64.48 81.35 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.4 p -133.57 98.57 4.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.171 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.965 ' HB3' HD22 ' A' ' 28' ' ' LEU . 32.7 m95 -104.95 78.56 1.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.8 157.06 23.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.7 t -117.79 115.8 25.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -87.51 34.09 0.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.436 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 67.7 mm-40 -127.94 -31.04 2.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -127.44 -9.03 5.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.8 t70 69.58 54.06 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 12.7 mmm -132.93 123.32 25.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.0 m -84.09 137.53 33.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -129.53 114.13 15.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.9 m -85.21 16.32 3.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -136.05 109.75 8.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.514 ' N ' ' CD1' ' A' ' 13' ' ' TRP . . . -49.83 -42.2 46.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.7 m -63.13 -40.71 98.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 t -62.67 -43.51 98.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.965 HD22 ' HB3' ' A' ' 13' ' ' TRP . 5.0 tp -68.91 -49.13 60.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -50.67 -44.19 57.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.7 tp -74.28 -45.06 50.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.668 ' O ' HG22 ' A' ' 34' ' ' VAL . 10.7 t60 -55.97 -34.24 65.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -55.92 -13.72 2.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -84.71 20.79 1.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.668 HG22 ' O ' ' A' ' 31' ' ' HIS . 11.1 m -115.33 -35.06 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.436 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 77.7 m-70 -74.87 -18.15 60.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.497 ' O ' HG22 ' A' ' 36' ' ' VAL . 9.9 p -91.4 16.8 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.77 -43.52 83.8 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.43 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 39' ' ' LYS . 17.4 tt0 -72.72 165.66 24.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.964 0.411 . . . . 0.0 110.882 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 38' ' ' GLU . 36.9 mmtm -35.63 124.05 0.65 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.596 0.712 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 148.64 65.84 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.697 2.265 . . . . 0.0 112.359 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.5 m -87.1 41.0 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -108.77 -81.52 1.32 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.472 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 132.33 23.13 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.671 2.248 . . . . 0.0 112.351 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 54.0 p 50.08 38.83 17.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.5 m -115.28 133.27 56.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.824 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.166 -0.797 . . . . 0.0 112.505 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 t -86.96 158.36 19.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.855 0.36 . . . . 0.0 110.896 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.5 p -149.65 168.67 22.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.846 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.37 116.12 1.17 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.3 t -169.97 114.8 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 0.0 110.856 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.2 t -71.87 -57.87 3.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.863 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.29 -119.51 4.6 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 39.1 mtt -106.79 -57.91 2.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -135.92 151.44 20.7 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.536 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.4 mp0 -131.4 92.59 3.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.392 . . . . 0.0 110.849 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.573 ' O ' HG23 ' A' ' 12' ' ' THR . 0.0 OUTLIER -45.0 135.3 5.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.573 HG23 ' O ' ' A' ' 11' ' ' LYS . 3.2 p -160.55 107.07 1.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.605 ' CD1' ' N ' ' A' ' 25' ' ' ALA . 12.5 m95 -111.78 53.74 0.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.441 ' CB ' ' HA ' ' A' ' 21' ' ' CYS . 9.5 pttm -82.37 162.56 22.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.4 t -102.25 122.15 43.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.851 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.0 mtp85 -84.49 20.13 1.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 18' ' ' CYS . 1.9 tp10 -115.98 -55.76 2.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.454 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 17.1 p -95.14 -11.63 27.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.2 t0 71.76 45.1 0.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 35.0 mtm -120.44 114.6 22.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.441 ' HA ' ' CB ' ' A' ' 14' ' ' LYS . 3.4 m -79.24 139.02 38.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.493 ' CD2' HD13 ' A' ' 28' ' ' LEU . 96.0 m-85 -126.98 121.05 30.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 t -86.55 32.92 0.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -158.66 111.4 2.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.605 ' N ' ' CD1' ' A' ' 13' ' ' TRP . . . -50.35 -56.31 11.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.7 t -54.2 -43.32 70.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.801 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.3 m -56.18 -47.42 78.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.538 HD22 ' HB3' ' A' ' 13' ' ' TRP . 19.6 tp -63.14 -48.67 77.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.924 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -42.43 -45.59 4.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.51 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 10.6 mp -72.74 -50.1 26.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.576 ' O ' HG22 ' A' ' 34' ' ' VAL . 8.2 t60 -49.31 -45.07 44.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -48.98 -21.53 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.527 ' O ' HG12 ' A' ' 36' ' ' VAL . 19.7 p30 -61.02 -9.15 3.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 31' ' ' HIS . 18.2 m -87.33 -17.61 8.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.082 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 -109.07 38.33 2.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.634 HG13 ' O ' ' A' ' 36' ' ' VAL . 12.1 p -131.73 106.64 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.93 69.88 1.26 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.47 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -86.14 -31.78 21.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.89 0.376 . . . . 0.0 110.878 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -112.47 82.24 4.6 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.59 0.709 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 117.12 4.9 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.641 2.227 . . . . 0.0 112.354 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.4 m -54.91 93.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.09 84.26 0.17 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.468 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 2.63 3.38 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.661 2.241 . . . . 0.0 112.328 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.7 t 65.24 41.55 4.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.841 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 93.1 p -68.87 -28.76 66.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.875 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.496 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m 39.55 42.04 0.84 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.885 0.374 . . . . 0.0 110.869 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.2 p -104.73 174.07 6.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.14 62.55 0.11 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.0 m -113.54 82.97 1.77 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.88 0.371 . . . . 0.0 110.895 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.1 t -120.26 79.44 1.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.41 39.97 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.509 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.86 171.25 14.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.801 0.334 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -179.19 110.94 0.3 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.456 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -66.64 136.15 55.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.928 0.394 . . . . 0.0 110.889 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.846 ' O ' HG23 ' A' ' 12' ' ' THR . 0.0 OUTLIER -63.31 144.92 56.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.846 HG23 ' O ' ' A' ' 11' ' ' LYS . 1.2 p -171.76 122.45 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.184 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.418 ' CD1' ' N ' ' A' ' 25' ' ' ALA . 25.5 m95 -120.91 55.91 1.03 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -71.24 163.48 27.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.414 ' HA ' HD11 ' A' ' 28' ' ' LEU . 1.8 t -93.63 133.23 37.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.8 mmt-85 -85.8 21.75 1.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -127.64 -64.08 0.99 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.7 p -93.22 -15.87 25.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.6 t70 74.44 45.94 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 79.8 mtp -103.69 122.46 45.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.0 p -74.6 132.71 42.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.843 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -127.85 124.71 38.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.5 m -85.62 29.3 0.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -156.79 105.38 2.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.418 ' N ' ' CD1' ' A' ' 13' ' ' TRP . . . -42.02 -53.82 3.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.2 m -54.46 -48.87 71.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.3 m -50.1 -42.68 50.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.414 HD11 ' HA ' ' A' ' 15' ' ' CYS . 21.2 tp -72.14 -45.66 59.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -48.58 -51.65 26.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.4 tp -70.38 -40.41 73.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.708 ' O ' HG22 ' A' ' 34' ' ' VAL . 28.3 t60 -74.82 -4.39 37.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -86.17 -39.46 16.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.39 -37.14 84.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.708 HG22 ' O ' ' A' ' 31' ' ' HIS . 28.7 m -39.76 -40.28 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.427 ' N ' HG23 ' A' ' 34' ' ' VAL . 87.3 m-70 -76.71 -51.13 12.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.823 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 99.8 t -68.4 113.34 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.1 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 154.07 121.51 0.81 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.47 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -156.77 138.03 13.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.916 0.389 . . . . 0.0 110.873 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp -111.44 130.67 22.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.59 0.709 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 120.59 7.34 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.709 2.273 . . . . 0.0 112.289 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 m -83.53 27.81 0.59 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.64 -80.18 1.09 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.447 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.473 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.8 Cg_endo -69.73 80.04 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.657 2.238 . . . . 0.0 112.344 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 43' ' ' PRO . 56.2 m 32.67 49.57 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 44' ' ' SER . 44.5 t 33.49 51.92 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.491 -179.973 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.7 t -165.25 136.28 3.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.872 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.2 p -90.05 124.5 34.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.87 76.92 0.41 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.503 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.6 t -84.71 146.48 27.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.868 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.2 p -108.3 -46.75 3.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.827 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.24 -59.0 0.69 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.528 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.8 ptm -80.16 161.92 24.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.342 . . . . 0.0 110.928 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -58.72 -156.91 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.464 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 11' ' ' LYS . 9.1 tp10 -104.87 31.61 4.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.895 0.378 . . . . 0.0 110.879 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 10' ' ' GLU . 65.1 tttt 34.47 44.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 10' ' ' GLU . 8.2 p -138.92 117.43 12.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.202 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.912 ' HB3' HD22 ' A' ' 28' ' ' LEU . 23.0 m95 -124.93 84.08 2.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -87.82 160.52 17.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.9 t -103.86 127.34 51.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -84.37 31.86 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -132.45 -42.37 0.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.9 p -125.28 -11.04 6.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 40.3 t0 71.58 54.39 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 64.3 mtp -112.22 124.84 53.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.0 m -83.35 142.67 30.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -135.26 134.83 40.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.5 m -71.86 -37.77 70.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.2 mp0 -99.82 149.07 23.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.73 -53.62 7.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.3 m -51.38 -45.38 62.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.5 m -54.35 -42.38 70.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.837 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.912 HD22 ' HB3' ' A' ' 13' ' ' TRP . 4.2 tp -67.22 -56.87 8.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.3 mtp85 -40.6 -50.86 3.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.01 -42.23 73.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -52.44 -21.96 4.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.85 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.495 ' O ' HG12 ' A' ' 36' ' ' VAL . 72.0 mt-30 -84.57 26.82 0.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -97.31 -34.26 11.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.1 m -63.4 -38.02 81.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -72.53 -62.55 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.811 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.495 HG12 ' O ' ' A' ' 32' ' ' GLN . 15.0 p -60.23 -25.21 32.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 38' ' ' GLU . . . -43.28 -72.86 0.28 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.459 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 37' ' ' GLY . 3.2 pt-20 -36.83 124.97 0.88 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.924 0.393 . . . . 0.0 110.877 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.76 113.82 14.86 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.599 0.714 . . . . 0.0 110.85 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 -172.59 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.695 2.263 . . . . 0.0 112.345 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -108.4 42.13 1.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -125.17 -108.91 1.73 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.505 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 130.99 20.28 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.673 2.249 . . . . 0.0 112.337 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.1 p -160.71 131.58 5.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.3 p -91.19 85.01 5.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.82 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.471 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_