data_2emg_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 2emg _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' ' ' PRO . . . . . 0.568 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.813 0.256 . . . . 0.0 112.322 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.568 ' CD1' ' O ' ' A' ' 12' ' ' PRO . 37.6 m-85 -161.71 154.7 20.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.0 mt -147.79 136.2 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.479 ' O ' ' N ' ' A' ' 19' ' ' GLY . 8.2 t -75.36 89.53 2.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.6 m -41.08 -27.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.475 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 72.7 mm-40 -64.23 -65.94 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.4 p -101.59 -43.42 5.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 111.17 45.12 0.88 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.518 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.508 ' HG2' ' CE1' ' A' ' 22' ' ' PHE . 15.1 tttp -103.52 128.66 50.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.807 0.337 . . . . 0.0 110.882 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.5 p -87.74 134.78 26.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.508 ' CE1' ' HG2' ' A' ' 20' ' ' LYS . 69.6 m-85 -123.32 147.91 46.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.4 m -69.42 -45.54 68.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -111.91 142.02 44.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -59.55 -25.95 64.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.437 ' CG2' ' N ' ' A' ' 27' ' ' ASN . 1.3 t -71.64 -40.11 69.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.437 ' N ' ' CG2' ' A' ' 26' ' ' THR . 19.7 t-20 -63.79 -37.04 85.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.6 tp -68.16 -51.06 50.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.958 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.2 mt -54.03 -42.67 55.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 24.1 mt -63.79 -32.69 57.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.481 ' CE1' HD12 ' A' ' 34' ' ' ILE . 3.2 t60 -72.51 -52.56 15.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -42.45 -23.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 31' ' ' HIS . 36.4 mmtt -48.97 -40.09 29.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.481 HD12 ' CE1' ' A' ' 31' ' ' HIS . 27.1 pt -60.27 -27.05 38.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.171 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.475 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 50.8 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.593 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.804 0.252 . . . . 0.0 112.36 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' A' ' 12' ' ' PRO . 5.2 m-85 -160.94 146.82 14.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 94.7 mt -135.2 131.04 51.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.16 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.4 t -58.48 128.42 37.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.7 t -84.89 28.73 0.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.604 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 7.6 mm-40 -129.38 -50.68 1.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.876 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.4 p -113.17 -50.47 2.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.54 44.37 0.47 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.45 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.45 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 36.4 tttp -104.75 140.9 37.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.821 0.343 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.0 t -92.3 139.6 17.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.563 ' CE1' HD11 ' A' ' 28' ' ' LEU . 25.5 m-85 -130.08 145.06 51.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.0 m -74.44 -44.16 53.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.161 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -101.69 136.57 41.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.554 ' HD3' ' CE1' ' A' ' 13' ' ' PHE . 14.1 tptp -58.32 -44.81 88.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.2 m -60.68 -40.28 91.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.148 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 39.9 m-20 -58.78 -43.03 90.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.563 HD11 ' CE1' ' A' ' 22' ' ' PHE . 9.8 tp -62.86 -45.68 91.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 27.9 mt -58.86 -48.11 87.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.166 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.485 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 63.0 mt -59.0 -36.79 63.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.531 ' CE1' HD12 ' A' ' 34' ' ' ILE . 2.4 t60 -65.47 -44.95 85.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -48.57 -21.68 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.485 ' CG ' ' O ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -58.31 -12.08 3.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.531 HD12 ' CE1' ' A' ' 31' ' ' HIS . 20.4 pt -81.81 -5.96 9.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.604 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 59.9 m-70 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.586 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 53.7 Cg_endo . . . . . 0 N--CA 1.466 -0.143 0 CA-C-O 120.868 0.278 . . . . 0.0 112.378 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 12' ' ' PRO . 29.0 m-85 -154.64 138.95 16.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 16.7 mm -126.61 142.57 42.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.47 ' O ' ' N ' ' A' ' 17' ' ' GLU . 8.6 t -93.28 82.49 4.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.2 t -40.32 -25.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 15' ' ' CYS . 1.7 mp0 -65.87 -64.3 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.428 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 28.4 p -100.5 -46.04 5.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 113.08 39.28 1.16 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.482 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.4 tttt -105.53 149.3 26.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.4 p -108.48 131.78 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.163 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -121.99 153.71 38.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.7 m -79.13 -42.54 26.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.194 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -117.48 125.52 51.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 28' ' ' LEU . 13.5 mtmm -40.25 -51.8 2.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.465 ' CG2' ' N ' ' A' ' 27' ' ' ASN . 1.3 t -37.81 -42.14 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.114 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.465 ' N ' ' CG2' ' A' ' 26' ' ' THR . 6.5 m120 -67.24 -39.23 86.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.89 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 25' ' ' LYS . 6.0 tp -73.42 -55.12 6.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 57.6 mt -49.79 -42.06 17.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.115 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.0 mt -74.47 -35.62 39.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.563 ' CE1' HD12 ' A' ' 34' ' ' ILE . 5.0 t60 -69.13 -29.2 67.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -63.19 -19.69 64.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.966 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -58.84 -19.22 39.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.563 HD12 ' CE1' ' A' ' 31' ' ' HIS . 4.5 pt -82.73 -4.09 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.428 ' CE1' ' HB3' ' A' ' 18' ' ' CYS . 75.9 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.588 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.777 0.24 . . . . 0.0 112.321 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.588 ' CD1' ' O ' ' A' ' 12' ' ' PRO . 7.0 m-85 -162.57 151.66 15.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.413 HG13 ' C ' ' A' ' 13' ' ' PHE . 58.5 mt -145.71 139.96 21.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.6 t -79.45 114.19 18.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 81.9 p -60.88 -23.52 65.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.566 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 11.4 mm-40 -69.75 -63.98 0.97 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.929 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.5 p -101.92 -54.26 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.45 41.19 0.69 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.455 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.7 tttt -99.41 133.48 43.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.808 0.337 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 57.7 t -83.65 135.25 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.432 ' CE1' HD13 ' A' ' 28' ' ' LEU . 56.7 m-85 -120.06 149.72 41.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.0 m -79.63 -36.91 37.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -114.98 118.13 32.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.857 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.492 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 16.8 pttm -42.0 -43.26 3.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 38.8 m -57.33 -48.61 78.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -52.24 -47.19 65.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.432 HD13 ' CE1' ' A' ' 22' ' ' PHE . 19.4 tp -58.81 -53.04 62.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.0 mt -50.83 -42.21 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 76.4 mt -68.05 -32.41 56.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.565 ' CE1' HD13 ' A' ' 34' ' ' ILE . 2.1 t60 -70.33 -53.89 14.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -39.25 -25.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 31' ' ' HIS . 54.3 mttt -56.37 -45.99 80.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.565 HD13 ' CE1' ' A' ' 31' ' ' HIS . 13.4 pt -46.06 -26.99 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.17 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.566 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 89.4 m-70 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.816 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.523 ' HB2' ' CD2' ' A' ' 13' ' ' PHE . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.862 0.276 . . . . 0.0 112.368 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.523 ' CD2' ' HB2' ' A' ' 12' ' ' PRO . 18.0 m-85 -154.16 159.01 41.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 90.2 mt -143.77 145.38 22.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 17' ' ' GLU . 8.3 t -84.78 87.85 7.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.2 m -39.99 -25.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 15' ' ' CYS . 1.5 mp0 -67.36 -69.76 0.29 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.7 p -93.37 -50.43 5.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.94 39.65 0.69 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.5 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -104.62 146.19 29.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.816 0.341 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.5 t -102.17 137.94 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.157 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.425 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 24.2 m-85 -127.12 137.57 53.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.0 m -68.55 -46.71 68.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -91.78 134.4 34.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -42.45 79.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 m -68.89 -31.89 71.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 43.3 m-20 -61.71 -33.75 74.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 tp -76.39 -47.28 23.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.9 mt -58.59 -44.39 89.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.36 -30.71 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.543 ' CE1' HD13 ' A' ' 34' ' ' ILE . 2.4 t60 -79.24 -42.96 24.73 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -50.92 -21.15 1.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.952 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.9 mttp -56.96 -26.73 60.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.543 HD13 ' CE1' ' A' ' 31' ' ' HIS . 16.6 pt -66.26 -6.44 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.141 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 179.87 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.418 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.206 0 CA-C-O 120.823 0.26 . . . . 0.0 112.285 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.489 ' CE1' ' HE2' ' A' ' 25' ' ' LYS . 87.2 m-85 -157.64 121.58 4.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.7 mt -117.61 152.37 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 19' ' ' GLY . 33.7 t -90.29 88.84 7.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.6 t -43.71 -25.12 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -64.89 -52.85 54.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.1 p -114.38 -49.81 2.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 121.93 31.07 1.15 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.478 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -96.62 125.26 40.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.794 0.33 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.0 p -90.05 138.6 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.085 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -127.47 150.25 49.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.4 m -80.84 -39.95 25.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.118 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -100.09 127.13 46.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.489 ' HE2' ' CE1' ' A' ' 13' ' ' PHE . 15.5 ttmm -52.5 -34.24 48.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 m -72.57 -41.75 65.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.147 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -54.09 -41.02 67.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.6 tp -64.24 -48.71 74.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 93.4 mt -55.27 -46.62 78.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 51.0 mt -58.98 -33.01 48.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.51 ' O ' ' N ' ' A' ' 33' ' ' LYS . 4.8 t60 -74.47 -59.25 2.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 31' ' ' HIS . 92.0 mt-30 -36.09 -29.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.51 ' N ' ' O ' ' A' ' 31' ' ' HIS . 46.6 mttt -47.81 -47.82 30.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.435 HG13 ' N ' ' A' ' 35' ' ' HIS . 12.3 pt -44.94 -26.18 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.435 ' N ' HG13 ' A' ' 34' ' ' ILE . 55.5 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.829 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.544 ' HB2' ' CD1' ' A' ' 13' ' ' PHE . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.155 0 CA-C-O 120.837 0.266 . . . . 0.0 112.339 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.544 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 11.1 m-85 -160.95 131.81 5.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 83.7 mt -125.05 140.27 48.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.7 t -73.23 126.75 30.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.1 t -84.38 34.86 0.53 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.472 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 6.9 mm-40 -134.4 -53.79 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.1 p -108.7 -50.29 3.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.48 40.21 0.59 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.3 tttp -98.22 154.82 17.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.797 0.332 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 57.9 t -114.01 134.67 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.441 ' CD1' HD11 ' A' ' 28' ' ' LEU . 92.6 m-85 -127.63 132.36 49.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.7 m -57.97 -46.85 84.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -96.57 145.22 25.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -65.98 -51.4 58.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.8 m -52.5 -48.74 65.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -49.52 -44.16 46.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.441 HD11 ' CD1' ' A' ' 22' ' ' PHE . 13.0 tp -61.88 -51.14 69.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.5 mt -51.46 -41.13 25.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.406 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 55.2 mt -65.41 -39.88 86.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.087 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.479 ' CE1' HD13 ' A' ' 34' ' ' ILE . 2.6 t60 -66.94 -48.03 69.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -47.78 -20.39 0.29 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.406 ' CG ' ' O ' ' A' ' 30' ' ' ILE . 29.3 mmtm -54.46 -32.24 57.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.479 HD13 ' CE1' ' A' ' 31' ' ' HIS . 23.5 pt -62.94 -10.17 5.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.081 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.472 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 78.9 m-70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.838 0.266 . . . . 0.0 112.329 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -154.97 152.63 29.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.42 HG12 ' CG2' ' A' ' 21' ' ' VAL . 84.5 mt -145.96 136.17 18.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.6 t -65.19 126.98 29.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.5 m -84.04 22.01 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.539 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 47.0 mm-40 -122.52 -53.02 1.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.9 p -108.62 -52.96 2.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.31 39.99 0.46 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.524 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.7 tttt -102.02 138.1 39.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.81 0.338 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.42 ' CG2' HG12 ' A' ' 14' ' ' ILE . 90.8 t -96.77 136.29 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -122.35 169.65 10.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.6 m -80.41 -55.65 4.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.512 ' CE1' ' HB2' ' A' ' 27' ' ' ASN . 1.5 p80 -119.17 138.84 52.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.4 pttt -42.51 -55.04 3.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.3 m -37.94 -51.69 1.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.512 ' HB2' ' CE1' ' A' ' 24' ' ' HIS . 0.2 OUTLIER -59.04 -48.04 83.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.8 tp -58.57 -52.8 64.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.6 mt -49.24 -41.42 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 94.2 mt -64.21 -39.35 85.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.45 ' CD2' ' C ' ' A' ' 31' ' ' HIS . 1.3 t60 -71.11 -46.35 61.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -48.43 -20.63 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.5 mttm -55.73 -30.69 61.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.443 HD11 ' CE1' ' A' ' 31' ' ' HIS . 20.4 pt -63.25 -7.22 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.072 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.539 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 85.7 m-70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.502 ' HB2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.198 0 CA-C-O 120.834 0.264 . . . . 0.0 112.338 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.502 ' CD2' ' HB2' ' A' ' 12' ' ' PRO . 16.1 m-85 -158.56 145.17 17.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 97.5 mt -137.22 145.78 29.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.141 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.6 t -78.84 124.06 27.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.9 t -83.17 37.37 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.506 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 6.3 mm-40 -134.81 -49.71 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.3 p -114.55 -50.84 2.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.04 43.52 0.36 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -104.8 149.73 25.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.0 t -111.39 142.17 24.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -130.75 152.36 50.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.4 m -77.1 -39.1 50.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.125 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -116.44 127.91 55.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.2 tttp -48.74 -40.5 28.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.445 ' CG2' ' N ' ' A' ' 27' ' ' ASN . 1.6 t -50.13 -41.57 49.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.445 ' N ' ' CG2' ' A' ' 26' ' ' THR . 2.7 m120 -69.01 -39.6 79.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.1 tp -64.52 -43.34 94.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 74.3 mt -61.89 -38.79 81.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.49 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 28.0 mt -73.06 -36.03 49.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.508 ' CE1' HD12 ' A' ' 34' ' ' ILE . 4.4 t60 -64.52 -50.63 66.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -44.7 -21.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.961 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 30' ' ' ILE . 26.7 mmtt -52.54 -36.71 56.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.508 HD12 ' CE1' ' A' ' 31' ' ' HIS . 23.5 pt -57.36 -11.51 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.506 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 68.4 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.577 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.133 0 CA-C-O 120.848 0.27 . . . . 0.0 112.369 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.577 ' CD1' ' O ' ' A' ' 12' ' ' PRO . 7.9 m-85 -162.44 139.34 7.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.3 mt -129.25 136.92 58.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.164 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.407 ' SG ' ' CD ' ' A' ' 17' ' ' GLU . 8.5 t -64.4 127.65 32.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.1 t -84.73 18.01 2.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.407 ' CD ' ' SG ' ' A' ' 15' ' ' CYS . 2.2 mp0 -114.67 -62.25 1.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.2 p -101.9 -50.42 3.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.36 42.65 0.38 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.493 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.3 tttp -107.51 128.68 54.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.821 0.343 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.463 HG23 ' N ' ' A' ' 22' ' ' PHE . 11.7 p -91.42 145.37 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.463 ' N ' HG23 ' A' ' 21' ' ' VAL . 71.7 m-85 -130.76 143.12 50.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 m -83.19 15.1 3.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -156.89 125.67 5.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.47 ' HG2' ' N ' ' A' ' 26' ' ' THR . 0.0 OUTLIER -52.51 -33.78 46.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.47 ' N ' ' HG2' ' A' ' 25' ' ' LYS . 3.1 m -69.63 -46.73 65.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -57.12 -39.35 74.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.9 tp -64.26 -52.08 60.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 74.2 mt -55.29 -48.49 76.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.065 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 79.7 mt -57.98 -33.4 46.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.558 ' CE1' HD12 ' A' ' 34' ' ' ILE . 3.8 t60 -70.05 -53.16 18.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -40.94 -24.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' HIS . 14.1 mmtm -51.17 -44.45 61.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.558 HD12 ' CE1' ' A' ' 31' ' ' HIS . 20.5 pt -50.74 -21.84 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.86 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.547 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.826 0.261 . . . . 0.0 112.381 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.547 ' CG ' ' O ' ' A' ' 12' ' ' PRO . 97.7 m-85 -162.7 157.44 21.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.464 HG22 ' N ' ' A' ' 15' ' ' CYS . 18.4 mm -148.02 141.35 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.103 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.464 ' N ' HG22 ' A' ' 14' ' ' ILE . 43.1 t -78.24 127.78 32.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.408 ' C ' ' OE1' ' A' ' 17' ' ' GLU . 8.6 t -84.05 22.93 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.473 ' HG2' ' CB ' ' A' ' 35' ' ' HIS . 1.8 mp0 -118.45 -54.9 2.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.86 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.5 p -113.09 -51.42 2.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.44 39.49 0.37 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.489 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.563 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -91.49 150.91 21.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.814 0.34 . . . . 0.0 110.93 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.5 p -113.26 136.99 47.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.067 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.563 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 84.7 m-85 -132.11 139.52 48.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.6 m -77.23 -37.44 53.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.162 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 25' ' ' LYS . 7.3 t-80 -111.21 114.32 27.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 24' ' ' HIS . 49.0 tttm -34.26 -46.49 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.4 m -49.57 -48.56 48.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.101 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 24' ' ' HIS . 0.1 OUTLIER -56.59 -45.99 81.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.85 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.441 HD13 ' CD1' ' A' ' 22' ' ' PHE . 12.1 tp -58.31 -46.74 85.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.7 mt -56.96 -42.53 79.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.411 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 85.8 mt -60.39 -45.61 96.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.571 ' CE1' HD13 ' A' ' 34' ' ' ILE . 1.2 t60 -63.83 -43.35 96.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -49.52 -19.7 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.411 ' CG ' ' O ' ' A' ' 30' ' ' ILE . 28.0 mmtt -56.73 -29.04 62.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.571 HD13 ' CE1' ' A' ' 31' ' ' HIS . 13.7 pt -72.09 -9.82 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.151 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.473 ' CB ' ' HG2' ' A' ' 17' ' ' GLU . 83.6 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.551 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.862 0.276 . . . . 0.0 112.357 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.551 ' CG ' ' O ' ' A' ' 12' ' ' PRO . 88.7 m-85 -162.17 127.27 3.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 94.2 mt -126.57 115.62 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.103 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.9 t -49.14 123.2 6.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.3 m -84.39 28.89 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -130.83 -37.64 1.31 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -124.2 -47.43 1.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.15 45.66 0.68 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.571 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 12.9 ttmt -103.46 142.69 33.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.892 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.1 t -102.29 127.04 56.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.555 ' CE1' HD12 ' A' ' 28' ' ' LEU . 1.8 m-85 -118.4 150.86 38.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 98.1 m -75.72 -48.97 19.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.14 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.574 ' CE1' ' HB2' ' A' ' 27' ' ' ASN . 2.9 p80 -113.7 121.59 44.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 24' ' ' HIS . 27.3 ttmt -32.82 -56.76 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 25' ' ' LYS . 23.8 m -34.14 -52.21 0.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.178 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.574 ' HB2' ' CE1' ' A' ' 24' ' ' HIS . 2.4 t-20 -55.17 -47.51 75.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.555 HD12 ' CE1' ' A' ' 22' ' ' PHE . 13.5 tp -59.18 -47.56 84.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.4 mt -56.77 -46.02 83.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 64.7 mt -67.76 -35.12 71.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.113 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.571 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 2.1 t60 -68.72 -47.49 66.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -49.51 -19.35 0.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -57.9 -30.05 65.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.9 pt -62.47 -7.35 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.074 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 58.6 m-70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 179.88 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.54 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.148 0 CA-C-O 120.83 0.263 . . . . 0.0 112.326 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.54 ' CG ' ' O ' ' A' ' 12' ' ' PRO . 45.5 m-85 -161.43 143.94 12.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.3 mt -130.54 147.81 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.084 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.4 t -89.67 91.4 8.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.8 t -47.61 -20.0 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.826 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.488 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 8.0 mt-10 -70.62 -58.32 3.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.4 p -106.96 -50.04 3.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.86 19.59 2.21 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -82.34 156.14 24.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.85 0.357 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.8 t -117.8 133.71 63.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.083 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -123.67 142.19 51.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.1 m -69.37 -45.71 68.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -101.49 131.54 47.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -51.65 -45.59 63.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.1 m -56.43 -43.2 79.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -55.56 -41.24 73.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.5 tp -64.4 -56.17 16.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 44.6 mt -47.3 -48.01 9.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.099 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 65.4 mt -60.32 -32.0 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.503 ' O ' ' N ' ' A' ' 33' ' ' LYS . 7.2 t60 -73.56 -59.22 2.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 31' ' ' HIS . 92.6 mt-30 -36.03 -30.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 31' ' ' HIS . 19.7 mttm -47.25 -48.47 24.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.457 HG13 ' N ' ' A' ' 35' ' ' HIS . 11.2 pt -46.19 -27.03 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.097 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.488 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 65.5 m-70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.536 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.838 0.266 . . . . 0.0 112.358 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.536 ' CG ' ' O ' ' A' ' 12' ' ' PRO . 30.0 m-85 -161.44 147.66 14.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.447 ' CD1' HG22 ' A' ' 21' ' ' VAL . 27.9 mm -132.16 151.77 35.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.1 t -92.31 121.15 33.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.1 t -81.9 34.91 0.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.456 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 12.1 mt-10 -135.0 -45.5 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -122.25 -47.41 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.8 43.37 0.68 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.527 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 3.4 ttmm -100.53 145.22 28.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.793 0.33 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.447 HG22 ' CD1' ' A' ' 14' ' ' ILE . 60.7 t -99.3 128.42 51.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.57 ' CE1' HD11 ' A' ' 28' ' ' LEU . 79.9 m-85 -123.05 143.28 50.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.9 m -70.55 -44.22 67.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.188 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -103.38 141.2 36.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.3 tttp -61.99 -42.85 99.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.9 m -59.86 -41.52 91.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -56.85 -43.2 80.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.57 HD11 ' CE1' ' A' ' 22' ' ' PHE . 10.5 tp -64.02 -40.75 97.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.1 mt -62.2 -42.21 94.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 79.8 mt -68.06 -33.66 62.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.5 ' O ' ' N ' ' A' ' 33' ' ' LYS . 6.7 t60 -66.98 -59.9 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.832 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 31' ' ' HIS . 41.1 mt-30 -34.78 -31.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 31' ' ' HIS . 24.0 mttm -48.3 -48.95 35.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.449 HG13 ' N ' ' A' ' 35' ' ' HIS . 9.2 pt -44.82 -26.18 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.456 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 45.2 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.232 0.185 0 CA-C-O 120.834 0.264 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -147.99 145.14 28.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.441 HG23 ' N ' ' A' ' 15' ' ' CYS . 36.6 mm -134.78 145.3 32.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.126 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.441 ' N ' HG23 ' A' ' 14' ' ' ILE . 7.9 t -83.48 122.84 29.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.2 m -84.59 27.98 0.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.52 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 9.0 mm-40 -126.3 -46.36 1.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.8 p -116.83 -48.94 2.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.21 41.81 0.53 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt -108.22 151.9 25.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.5 p -110.93 141.66 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.165 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.459 ' CD1' HD12 ' A' ' 28' ' ' LEU . 35.3 m-85 -130.93 143.42 50.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.0 m -69.85 -45.95 66.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.169 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -96.29 141.94 29.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -60.23 -45.68 92.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 92.2 m -61.77 -42.09 98.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 -50.25 -39.6 45.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.459 HD12 ' CD1' ' A' ' 22' ' ' PHE . 10.6 tp -72.25 -46.37 56.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.958 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 38.5 mt -54.69 -46.54 73.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 81.0 mt -64.08 -31.0 51.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.154 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.564 ' CE1' HD12 ' A' ' 34' ' ' ILE . 7.1 t60 -75.78 -43.16 47.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.839 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -51.34 -21.38 2.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.8 mttm -56.56 -23.05 37.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.564 HD12 ' CE1' ' A' ' 31' ' ' HIS . 18.1 pt -69.65 -9.74 12.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.551 ' CE1' HG13 ' A' ' 34' ' ' ILE . 32.5 m-70 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.414 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.175 0 CA-C-O 120.777 0.24 . . . . 0.0 112.349 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.548 ' CE1' ' CE ' ' A' ' 25' ' ' LYS . 69.0 m-85 -156.26 120.94 4.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.462 ' CD1' ' HB ' ' A' ' 21' ' ' VAL . 48.5 mm -118.24 152.34 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 17' ' ' GLU . 8.0 t -90.75 90.07 7.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.7 m -40.04 -27.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.558 ' HG2' ' CD2' ' A' ' 35' ' ' HIS . 1.5 mp0 -64.16 -69.07 0.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.2 p -100.36 -50.24 3.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.828 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.17 42.31 0.48 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.8 ttmt -100.17 132.95 45.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.838 0.352 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.462 ' HB ' ' CD1' ' A' ' 14' ' ' ILE . 9.5 p -93.67 133.26 35.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -122.05 132.38 54.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.0 p -63.52 -18.41 63.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.161 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.527 ' CE1' ' HB2' ' A' ' 27' ' ' ASN . 0.9 OUTLIER -141.75 114.77 8.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.548 ' CE ' ' CE1' ' A' ' 13' ' ' PHE . 17.1 ttmt -34.32 -47.05 0.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 25' ' ' LYS . 95.2 m -35.69 -58.55 0.61 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.197 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.527 ' HB2' ' CE1' ' A' ' 24' ' ' HIS . 8.7 t-20 -54.93 -46.29 74.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.8 tp -56.29 -45.31 80.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 66.9 mt -62.81 -36.88 77.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.07 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.8 mt -76.44 -33.16 22.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.514 ' O ' ' N ' ' A' ' 33' ' ' LYS . 9.4 t60 -70.76 -59.55 2.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 31' ' ' HIS . 83.4 mt-30 -34.96 -31.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.514 ' N ' ' O ' ' A' ' 31' ' ' HIS . 26.7 mttp -47.84 -48.77 30.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.455 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -44.69 -25.15 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.187 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.558 ' CD2' ' HG2' ' A' ' 17' ' ' GLU . 59.0 m-70 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.149 0 CA-C-O 120.789 0.245 . . . . 0.0 112.295 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.531 ' CZ ' ' HB3' ' A' ' 25' ' ' LYS . 75.5 m-85 -115.6 143.59 45.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.84 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.428 ' CD1' HG23 ' A' ' 21' ' ' VAL . 23.0 mm -137.78 154.76 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.171 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.6 t -99.82 117.65 34.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.8 t -72.14 -0.84 12.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.814 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.585 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 69.4 mm-40 -92.66 -48.06 6.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.7 p -118.86 -51.67 2.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.37 34.05 0.98 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.511 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -86.99 166.06 15.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 0.0 110.926 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.428 HG23 ' CD1' ' A' ' 14' ' ' ILE . 14.1 t -118.29 124.2 72.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.174 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.411 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 68.1 m-85 -119.49 133.73 55.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.2 m -67.63 -41.67 83.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -113.07 122.18 46.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.531 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 13.6 ptmt -41.96 -43.17 3.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.432 ' CG2' ' N ' ' A' ' 27' ' ' ASN . 1.4 t -48.31 -40.66 25.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.432 ' N ' ' CG2' ' A' ' 26' ' ' THR . 37.2 t-20 -68.02 -32.28 72.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.854 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.8 tp -74.53 -49.11 23.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 60.3 mt -57.64 -44.44 85.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 67.8 mt -70.02 -31.18 46.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.553 ' CE1' HD13 ' A' ' 34' ' ' ILE . 4.1 t60 -71.53 -51.44 23.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -42.76 -23.8 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 31' ' ' HIS . 41.9 mttt -57.41 -44.91 84.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.553 HD13 ' CE1' ' A' ' 31' ' ' HIS . 15.2 pt -47.22 -21.21 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.165 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.585 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 70.0 m-70 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.836 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.547 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 54.1 Cg_endo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.849 0.271 . . . . 0.0 112.326 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.547 ' CG ' ' O ' ' A' ' 12' ' ' PRO . 67.7 m-85 -161.83 132.39 4.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 97.6 mt -132.73 127.6 56.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.116 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.8 t -57.7 124.28 18.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.1 t -84.22 32.65 0.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.42 ' OE2' ' CB ' ' A' ' 35' ' ' HIS . 11.7 mt-10 -133.45 -44.36 0.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.6 p -117.42 -49.95 2.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.75 44.55 0.5 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.499 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.5 tttp -105.47 138.25 41.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.806 0.336 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 77.9 t -96.8 135.19 31.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.177 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -124.21 137.21 54.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.1 p -57.88 -53.47 57.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 25' ' ' LYS . 1.3 p80 -121.42 129.52 53.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.815 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.536 ' HD3' ' CE1' ' A' ' 13' ' ' PHE . 13.2 tptm -34.84 -54.05 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 25' ' ' LYS . 24.8 m -33.88 -50.1 0.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.404 ' HB2' ' CE1' ' A' ' 24' ' ' HIS . 2.4 t-20 -63.01 -44.23 96.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 25' ' ' LYS . 6.6 tp -61.87 -48.14 81.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 51.0 mt -55.21 -38.43 47.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.145 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.1 mt -70.13 -32.94 52.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.473 ' O ' ' N ' ' A' ' 33' ' ' LYS . 12.1 t60 -73.3 -60.19 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -40.04 -25.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 31' ' ' HIS . 28.8 mttm -51.49 -44.3 62.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.452 HG13 ' N ' ' A' ' 35' ' ' HIS . 19.8 pt -52.38 -31.16 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.105 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.452 ' N ' HG13 ' A' ' 34' ' ' ILE . 50.9 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.429 ' HB2' ' CD2' ' A' ' 13' ' ' PHE . 54.2 Cg_endo . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.829 0.262 . . . . 0.0 112.394 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.429 ' CD2' ' HB2' ' A' ' 12' ' ' PRO . 49.8 m-85 -150.52 125.21 9.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.448 HG23 ' N ' ' A' ' 15' ' ' CYS . 21.5 mt -122.48 143.58 34.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.448 ' N ' HG23 ' A' ' 14' ' ' ILE . 49.3 t -80.09 132.86 36.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.8 m -75.43 -17.51 60.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.529 ' HG3' ' CG ' ' A' ' 35' ' ' HIS . 15.3 mm-40 -77.68 -67.76 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.9 p -99.5 -52.99 3.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.31 44.3 0.57 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.457 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.8 tttp -96.63 130.35 43.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.825 0.345 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.5 t -83.84 130.58 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -121.22 149.86 42.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.7 m -49.81 -62.97 1.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.146 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.47 ' CD2' ' OD1' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -127.13 161.09 29.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -50.77 -31.79 17.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.5 m -57.86 -41.31 82.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.47 ' OD1' ' CD2' ' A' ' 24' ' ' HIS . 3.2 m120 -71.16 -41.56 70.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.1 tp -62.5 -46.98 85.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.9 mt -56.33 -40.94 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 80.1 mt -63.68 -34.75 69.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.537 ' CE1' HD12 ' A' ' 34' ' ' ILE . 5.7 t60 -76.81 -58.49 3.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 31' ' ' HIS . 67.7 mt-30 -34.66 -31.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.52 ' N ' ' O ' ' A' ' 31' ' ' HIS . 1.6 mtpm? -47.32 -48.22 25.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.537 HD12 ' CE1' ' A' ' 31' ' ' HIS . 8.1 pt -53.57 -26.41 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.529 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 90.5 m-70 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.825 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.571 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.193 0 CA-C-O 120.811 0.255 . . . . 0.0 112.307 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.571 ' CG ' ' O ' ' A' ' 12' ' ' PRO . 35.5 m-85 -162.62 121.16 2.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.408 HG22 ' N ' ' A' ' 15' ' ' CYS . 71.1 mt -125.17 140.59 47.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.408 ' N ' HG22 ' A' ' 14' ' ' ILE . 14.3 t -69.4 122.36 18.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.5 m -84.18 35.46 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.851 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.472 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 6.5 mm-40 -133.17 -50.33 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.875 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.2 p -113.78 -46.72 3.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.39 40.23 0.55 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.504 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.7 tttp -103.8 124.9 49.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.788 0.328 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.8 p -94.05 139.09 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -125.62 137.24 53.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.9 m -61.7 -44.0 97.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -104.95 143.03 33.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.5 pttm -59.52 -42.03 91.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.2 m -56.9 -46.85 81.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.171 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -50.24 -49.7 52.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.2 tp -56.31 -57.3 12.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.9 mt -46.48 -44.42 6.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 42.2 mt -62.12 -35.12 67.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.461 ' O ' ' N ' ' A' ' 33' ' ' LYS . 35.9 t60 -73.63 -63.44 1.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 35' ' ' HIS . 87.5 mt-30 -40.66 -24.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 31' ' ' HIS . 13.6 mtpt -46.29 -32.21 2.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.473 HG13 ' N ' ' A' ' 35' ' ' HIS . 28.5 pt -71.91 -31.5 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.134 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.473 ' N ' HG13 ' A' ' 34' ' ' ILE . 75.2 m-70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.551 -0.22 . . . . 0.0 112.551 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.1 p -144.17 121.72 11.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.896 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.1 t -53.84 -44.42 70.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.6 43.49 76.25 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.515 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -104.56 174.7 5.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.854 0.359 . . . . 0.0 110.862 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.0 t -152.11 163.06 40.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.07 67.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.3 m -133.95 89.98 2.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.817 0.341 . . . . 0.0 111.131 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 158.99 86.91 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.42 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.422 ' OE1' ' C ' ' A' ' 10' ' ' GLU . 0.7 OUTLIER -39.31 149.29 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.806 0.336 . . . . 0.0 110.92 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -129.76 144.05 51.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.668 0.747 . . . . 0.0 110.829 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.568 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.81 -49.18 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.678 2.252 . . . . 0.0 112.322 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.568 ' CD1' ' O ' ' A' ' 12' ' ' PRO . 37.6 m-85 -161.71 154.7 20.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.0 mt -147.79 136.2 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.479 ' O ' ' N ' ' A' ' 19' ' ' GLY . 8.2 t -75.36 89.53 2.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.6 m -41.08 -27.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.475 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 72.7 mm-40 -64.23 -65.94 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.4 p -101.59 -43.42 5.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 111.17 45.12 0.88 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.518 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.508 ' HG2' ' CE1' ' A' ' 22' ' ' PHE . 15.1 tttp -103.52 128.66 50.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.807 0.337 . . . . 0.0 110.882 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.5 p -87.74 134.78 26.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.508 ' CE1' ' HG2' ' A' ' 20' ' ' LYS . 69.6 m-85 -123.32 147.91 46.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.4 m -69.42 -45.54 68.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -111.91 142.02 44.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -59.55 -25.95 64.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.437 ' CG2' ' N ' ' A' ' 27' ' ' ASN . 1.3 t -71.64 -40.11 69.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.437 ' N ' ' CG2' ' A' ' 26' ' ' THR . 19.7 t-20 -63.79 -37.04 85.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.6 tp -68.16 -51.06 50.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.958 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.2 mt -54.03 -42.67 55.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 24.1 mt -63.79 -32.69 57.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.481 ' CE1' HD12 ' A' ' 34' ' ' ILE . 3.2 t60 -72.51 -52.56 15.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -42.45 -23.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 31' ' ' HIS . 36.4 mmtt -48.97 -40.09 29.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.481 HD12 ' CE1' ' A' ' 31' ' ' HIS . 27.1 pt -60.27 -27.05 38.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.171 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.475 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 50.8 m-70 -78.79 -34.88 45.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.91 80.31 2.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -175.63 51.31 0.12 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.496 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.8 142.09 51.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.85 0.357 . . . . 0.0 110.864 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -86.87 143.91 36.06 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.602 0.715 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 165.01 32.43 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.644 2.229 . . . . 0.0 112.3 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.4 m -41.72 -59.09 1.76 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 162.12 -157.77 29.65 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.461 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.9 Cg_endo -69.79 -14.64 36.28 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.703 2.269 . . . . 0.0 112.328 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 43' ' ' PRO . 40.1 m -37.89 101.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.824 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.6 p -134.1 -36.72 0.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.824 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.503 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -72.63 81.36 1.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 110.833 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.4 p -89.71 86.99 6.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.56 42.37 2.23 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.527 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 t -72.56 81.16 1.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 0.0 110.861 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -154.58 156.99 37.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.66 44.84 3.16 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.1 m -63.86 -28.56 69.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.866 0.365 . . . . 0.0 111.162 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.81 -30.53 63.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.498 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 59.85 45.52 12.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.804 0.335 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.425 ' ND2' HG13 ' A' ' 14' ' ' ILE . 1.8 p-10 -106.2 143.86 27.8 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.642 0.734 . . . . 0.0 110.916 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.593 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.76 -50.55 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.669 2.246 . . . . 0.0 112.36 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' A' ' 12' ' ' PRO . 5.2 m-85 -160.94 146.82 14.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.425 HG13 ' ND2' ' A' ' 11' ' ' ASN . 94.7 mt -135.2 131.04 51.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.16 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.4 t -58.48 128.42 37.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.7 t -84.89 28.73 0.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.604 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 7.6 mm-40 -129.38 -50.68 1.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.876 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.4 p -113.17 -50.47 2.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.54 44.37 0.47 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.45 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.45 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 36.4 tttp -104.75 140.9 37.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.821 0.343 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.0 t -92.3 139.6 17.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.563 ' CE1' HD11 ' A' ' 28' ' ' LEU . 25.5 m-85 -130.08 145.06 51.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.0 m -74.44 -44.16 53.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.161 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -101.69 136.57 41.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.554 ' HD3' ' CE1' ' A' ' 13' ' ' PHE . 14.1 tptp -58.32 -44.81 88.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.2 m -60.68 -40.28 91.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.148 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 39.9 m-20 -58.78 -43.03 90.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.563 HD11 ' CE1' ' A' ' 22' ' ' PHE . 9.8 tp -62.86 -45.68 91.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 27.9 mt -58.86 -48.11 87.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.166 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.485 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 63.0 mt -59.0 -36.79 63.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.531 ' CE1' HD12 ' A' ' 34' ' ' ILE . 2.4 t60 -65.47 -44.95 85.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -48.57 -21.68 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.485 ' CG ' ' O ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -58.31 -12.08 3.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.531 HD12 ' CE1' ' A' ' 31' ' ' HIS . 20.4 pt -81.81 -5.96 9.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.604 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 59.9 m-70 -116.3 -30.73 5.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.7 p -87.04 144.72 26.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 161.66 -64.89 0.26 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.519 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -69.28 153.04 44.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 110.86 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -143.64 136.15 13.46 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.625 0.726 . . . . 0.0 110.847 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -49.5 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.694 2.263 . . . . 0.0 112.323 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 93.7 p -174.89 133.09 0.33 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -114.84 168.15 12.49 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.505 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -7.17 20.4 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.621 2.214 . . . . 0.0 112.328 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.2 t -42.01 -43.77 3.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 64.9 m -133.61 172.93 12.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.813 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.108 -0.829 . . . . 0.0 112.512 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.0 p -99.1 83.39 2.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.923 0.392 . . . . 0.0 110.832 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.5 p -122.82 83.32 2.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.98 -64.39 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.537 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.6 t -47.62 137.63 8.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.912 0.387 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.423 ' HG ' ' N ' ' A' ' 7' ' ' GLY . 40.2 t -142.72 161.57 37.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.423 ' N ' ' HG ' ' A' ' 6' ' ' SER . . . -156.07 50.16 0.45 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.2 t -92.75 -20.67 20.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.342 . . . . 0.0 111.16 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 41.57 -138.31 2.18 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -131.29 103.2 6.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.832 0.348 . . . . 0.0 110.851 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -152.59 156.4 33.25 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.638 0.732 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.586 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.76 -49.25 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.689 2.26 . . . . 0.0 112.378 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 12' ' ' PRO . 29.0 m-85 -154.64 138.95 16.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 16.7 mm -126.61 142.57 42.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.47 ' O ' ' N ' ' A' ' 17' ' ' GLU . 8.6 t -93.28 82.49 4.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.2 t -40.32 -25.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 15' ' ' CYS . 1.7 mp0 -65.87 -64.3 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.428 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 28.4 p -100.5 -46.04 5.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 113.08 39.28 1.16 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.482 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.4 tttt -105.53 149.3 26.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.4 p -108.48 131.78 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.163 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -121.99 153.71 38.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.7 m -79.13 -42.54 26.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.194 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -117.48 125.52 51.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 28' ' ' LEU . 13.5 mtmm -40.25 -51.8 2.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.465 ' CG2' ' N ' ' A' ' 27' ' ' ASN . 1.3 t -37.81 -42.14 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.114 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.465 ' N ' ' CG2' ' A' ' 26' ' ' THR . 6.5 m120 -67.24 -39.23 86.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.89 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 25' ' ' LYS . 6.0 tp -73.42 -55.12 6.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 57.6 mt -49.79 -42.06 17.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.115 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.0 mt -74.47 -35.62 39.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.563 ' CE1' HD12 ' A' ' 34' ' ' ILE . 5.0 t60 -69.13 -29.2 67.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -63.19 -19.69 64.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.966 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -58.84 -19.22 39.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.563 HD12 ' CE1' ' A' ' 31' ' ' HIS . 4.5 pt -82.73 -4.09 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.428 ' CE1' ' HB3' ' A' ' 18' ' ' CYS . 75.9 m-70 -113.03 -10.08 13.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.8 p -81.86 -40.56 22.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.95 91.32 1.42 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.491 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -73.23 140.83 47.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.829 0.347 . . . . 0.0 110.876 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.8 ptt180 -62.26 145.87 93.39 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.589 0.709 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 179.59 3.64 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.649 2.232 . . . . 0.0 112.298 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.9 m -43.18 165.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -85.94 -104.46 0.73 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.525 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -48.62 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.668 2.245 . . . . 0.0 112.374 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.0 p -170.69 133.64 1.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.2 m -126.93 -50.19 1.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 CA-C-O 119.071 -0.85 . . . . 0.0 112.486 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -154.3 130.18 10.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.869 0.366 . . . . 0.0 110.838 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -52.45 -61.06 2.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.61 136.95 3.07 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.503 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.1 p -122.12 112.07 17.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 110.839 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.9 p -157.72 131.51 7.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.829 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.42 166.93 17.72 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.484 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.9 m -61.16 127.69 32.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.822 0.344 . . . . 0.0 111.159 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.54 -45.36 67.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 74.13 40.05 0.46 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.834 0.349 . . . . 0.0 110.909 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -154.82 143.39 14.64 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.612 0.72 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.588 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.74 -50.79 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.687 2.258 . . . . 0.0 112.321 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.588 ' CD1' ' O ' ' A' ' 12' ' ' PRO . 7.0 m-85 -162.57 151.66 15.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.413 HG13 ' C ' ' A' ' 13' ' ' PHE . 58.5 mt -145.71 139.96 21.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.6 t -79.45 114.19 18.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 81.9 p -60.88 -23.52 65.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.566 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 11.4 mm-40 -69.75 -63.98 0.97 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.929 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.5 p -101.92 -54.26 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.45 41.19 0.69 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.455 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.7 tttt -99.41 133.48 43.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.808 0.337 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 57.7 t -83.65 135.25 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.432 ' CE1' HD13 ' A' ' 28' ' ' LEU . 56.7 m-85 -120.06 149.72 41.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.0 m -79.63 -36.91 37.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -114.98 118.13 32.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.857 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.492 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 16.8 pttm -42.0 -43.26 3.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 38.8 m -57.33 -48.61 78.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -52.24 -47.19 65.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.432 HD13 ' CE1' ' A' ' 22' ' ' PHE . 19.4 tp -58.81 -53.04 62.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.0 mt -50.83 -42.21 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 76.4 mt -68.05 -32.41 56.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.565 ' CE1' HD13 ' A' ' 34' ' ' ILE . 2.1 t60 -70.33 -53.89 14.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -39.25 -25.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 31' ' ' HIS . 54.3 mttt -56.37 -45.99 80.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.565 HD13 ' CE1' ' A' ' 31' ' ' HIS . 13.4 pt -46.06 -26.99 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.17 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.566 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 89.4 m-70 -78.38 -37.78 43.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.816 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 33' ' ' LYS . 13.0 t -99.78 143.49 29.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.136 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 173.12 -84.44 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.461 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -71.5 156.34 39.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.847 0.356 . . . . 0.0 110.912 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.436 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 11.4 mmt180 54.92 54.95 10.72 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.634 0.731 . . . . 0.0 110.854 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.436 ' CD ' ' N ' ' A' ' 39' ' ' ARG . 53.6 Cg_endo -69.73 -170.42 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.728 2.286 . . . . 0.0 112.321 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.0 t -136.03 118.31 15.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 115.23 -161.34 12.83 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.475 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -177.13 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.691 2.261 . . . . 0.0 112.328 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.7 t -143.65 111.57 6.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.817 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.7 m -70.66 -48.87 52.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.188 -0.784 . . . . 0.0 112.503 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.3 m -107.49 140.23 40.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.878 0.37 . . . . 0.0 110.865 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.7 t -97.45 151.15 20.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.52 -84.46 0.37 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.498 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.7 m -77.34 85.21 3.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.836 0.351 . . . . 0.0 110.87 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 m -153.04 112.0 3.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.44 45.69 1.43 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.533 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.0 m 56.71 41.33 28.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.784 0.326 . . . . 0.0 111.152 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.31 -177.28 16.62 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.486 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -118.45 155.64 30.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 110.838 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.13 152.4 91.58 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.636 0.732 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.523 ' HB2' ' CD2' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.77 -48.86 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.679 2.253 . . . . 0.0 112.368 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.523 ' CD2' ' HB2' ' A' ' 12' ' ' PRO . 18.0 m-85 -154.16 159.01 41.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 90.2 mt -143.77 145.38 22.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 17' ' ' GLU . 8.3 t -84.78 87.85 7.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.2 m -39.99 -25.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 15' ' ' CYS . 1.5 mp0 -67.36 -69.76 0.29 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.7 p -93.37 -50.43 5.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.94 39.65 0.69 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.5 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -104.62 146.19 29.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.816 0.341 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.5 t -102.17 137.94 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.157 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.425 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 24.2 m-85 -127.12 137.57 53.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.0 m -68.55 -46.71 68.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -91.78 134.4 34.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -42.45 79.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 m -68.89 -31.89 71.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 43.3 m-20 -61.71 -33.75 74.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 tp -76.39 -47.28 23.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.9 mt -58.59 -44.39 89.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.36 -30.71 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.543 ' CE1' HD13 ' A' ' 34' ' ' ILE . 2.4 t60 -79.24 -42.96 24.73 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -50.92 -21.15 1.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.952 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.9 mttp -56.96 -26.73 60.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.543 HD13 ' CE1' ' A' ' 31' ' ' HIS . 16.6 pt -66.26 -6.44 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.141 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -116.04 -23.36 8.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 56.0 p -80.37 83.12 6.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.94 160.4 14.79 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -120.76 87.7 2.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.468 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 12.9 ttp180 -153.07 140.58 13.29 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.6 0.714 . . . . 0.0 110.854 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 39' ' ' ARG . 54.1 Cg_endo -69.74 -2.46 10.19 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.649 2.233 . . . . 0.0 112.409 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.0 t 57.03 47.07 18.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -118.57 -158.92 10.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.509 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 44' ' ' SER . 54.0 Cg_endo -69.73 165.9 29.37 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.703 2.269 . . . . 0.0 112.371 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 43' ' ' PRO . 58.5 p -37.53 142.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.841 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.1 t -116.24 165.34 13.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.506 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.0 m -86.4 174.09 9.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.847 0.356 . . . . 0.0 110.871 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.2 p -102.77 -46.24 4.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.86 40.36 0.77 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.475 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -115.48 -52.62 2.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.872 0.367 . . . . 0.0 110.842 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -70.71 169.92 13.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.1 -162.04 8.97 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.455 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 66.6 p -78.01 102.56 7.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.812 0.339 . . . . 0.0 111.17 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.34 106.89 0.64 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.453 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -134.03 90.59 2.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.84 0.353 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -142.17 155.49 64.99 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.577 0.704 . . . . 0.0 110.937 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.418 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.81 -50.61 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.692 2.262 . . . . 0.0 112.285 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.489 ' CE1' ' HE2' ' A' ' 25' ' ' LYS . 87.2 m-85 -157.64 121.58 4.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.7 mt -117.61 152.37 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 19' ' ' GLY . 33.7 t -90.29 88.84 7.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.6 t -43.71 -25.12 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -64.89 -52.85 54.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.1 p -114.38 -49.81 2.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 121.93 31.07 1.15 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.478 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -96.62 125.26 40.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.794 0.33 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.0 p -90.05 138.6 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.085 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -127.47 150.25 49.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.4 m -80.84 -39.95 25.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.118 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -100.09 127.13 46.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.489 ' HE2' ' CE1' ' A' ' 13' ' ' PHE . 15.5 ttmm -52.5 -34.24 48.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 m -72.57 -41.75 65.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.147 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -54.09 -41.02 67.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.6 tp -64.24 -48.71 74.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 93.4 mt -55.27 -46.62 78.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 51.0 mt -58.98 -33.01 48.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.51 ' O ' ' N ' ' A' ' 33' ' ' LYS . 4.8 t60 -74.47 -59.25 2.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 31' ' ' HIS . 92.0 mt-30 -36.09 -29.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.51 ' N ' ' O ' ' A' ' 31' ' ' HIS . 46.6 mttt -47.81 -47.82 30.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.435 HG13 ' N ' ' A' ' 35' ' ' HIS . 12.3 pt -44.94 -26.18 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.435 ' N ' HG13 ' A' ' 34' ' ' ILE . 55.5 m-70 -76.63 -38.83 54.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.829 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.489 ' CG2' ' O ' ' A' ' 33' ' ' LYS . 11.3 t -38.24 154.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 155.39 -106.24 0.29 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.477 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -108.43 143.0 37.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.859 0.361 . . . . 0.0 110.867 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.52 147.13 8.34 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.586 0.708 . . . . 0.0 110.906 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -16.2 37.27 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.692 2.261 . . . . 0.0 112.369 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.6 p 42.57 41.7 2.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.34 134.51 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.532 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -36.12 11.28 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.694 2.263 . . . . 0.0 112.303 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 79.2 p -76.05 68.56 2.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.863 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.7 m -139.42 105.24 5.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.086 -0.841 . . . . 0.0 112.476 -179.948 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.9 t -62.38 98.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.923 0.392 . . . . 0.0 110.85 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -130.66 145.33 51.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.89 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.96 81.95 0.16 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.442 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.8 t -108.37 172.03 7.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.902 0.382 . . . . 0.0 110.867 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.8 t 64.48 41.87 5.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.13 -157.67 28.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.486 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.7 t -81.63 -41.45 21.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.818 0.342 . . . . 0.0 111.126 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 57.3 -162.26 8.07 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.45 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -90.52 78.68 6.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.886 0.374 . . . . 0.0 110.881 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -155.93 130.44 4.98 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.575 0.703 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.544 ' HB2' ' CD1' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.77 -50.84 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.643 2.229 . . . . 0.0 112.339 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.544 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 11.1 m-85 -160.95 131.81 5.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 83.7 mt -125.05 140.27 48.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.7 t -73.23 126.75 30.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.1 t -84.38 34.86 0.53 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.472 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 6.9 mm-40 -134.4 -53.79 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.1 p -108.7 -50.29 3.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.48 40.21 0.59 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.3 tttp -98.22 154.82 17.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.797 0.332 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 57.9 t -114.01 134.67 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.441 ' CD1' HD11 ' A' ' 28' ' ' LEU . 92.6 m-85 -127.63 132.36 49.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.7 m -57.97 -46.85 84.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -96.57 145.22 25.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -65.98 -51.4 58.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.8 m -52.5 -48.74 65.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -49.52 -44.16 46.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.441 HD11 ' CD1' ' A' ' 22' ' ' PHE . 13.0 tp -61.88 -51.14 69.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.5 mt -51.46 -41.13 25.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.406 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 55.2 mt -65.41 -39.88 86.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.087 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.479 ' CE1' HD13 ' A' ' 34' ' ' ILE . 2.6 t60 -66.94 -48.03 69.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -47.78 -20.39 0.29 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.406 ' CG ' ' O ' ' A' ' 30' ' ' ILE . 29.3 mmtm -54.46 -32.24 57.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.479 HD13 ' CE1' ' A' ' 31' ' ' HIS . 23.5 pt -62.94 -10.17 5.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.081 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.472 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 78.9 m-70 -112.93 -32.79 6.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 53.2 p -48.86 108.87 0.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.58 155.32 49.99 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -127.97 41.31 3.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.1 ptt-85 -123.56 152.3 64.9 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.619 0.723 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -49.6 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.694 2.263 . . . . 0.0 112.326 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.2 m -94.22 46.97 1.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -94.49 179.2 37.28 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.528 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 84.28 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.698 2.265 . . . . 0.0 112.326 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.2 t -110.39 139.41 45.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.6 t -75.08 100.04 4.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.498 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.1 p 44.56 42.27 5.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.884 0.373 . . . . 0.0 110.853 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.3 t -156.12 138.42 14.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.16 98.73 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.521 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -85.59 165.38 17.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.824 0.345 . . . . 0.0 110.886 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.7 m -121.1 163.23 18.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.23 91.72 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.426 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.3 p -117.91 106.71 13.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.839 0.352 . . . . 0.0 111.152 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 69.13 76.02 0.5 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.488 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.4 mp0 -63.82 121.04 13.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.903 0.382 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -81.96 142.66 48.57 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.653 0.739 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -50.91 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.669 2.246 . . . . 0.0 112.329 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -154.97 152.63 29.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.42 HG12 ' CG2' ' A' ' 21' ' ' VAL . 84.5 mt -145.96 136.17 18.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.6 t -65.19 126.98 29.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.5 m -84.04 22.01 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.539 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 47.0 mm-40 -122.52 -53.02 1.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.9 p -108.62 -52.96 2.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.31 39.99 0.46 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.524 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.7 tttt -102.02 138.1 39.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.81 0.338 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.42 ' CG2' HG12 ' A' ' 14' ' ' ILE . 90.8 t -96.77 136.29 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -122.35 169.65 10.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.6 m -80.41 -55.65 4.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.512 ' CE1' ' HB2' ' A' ' 27' ' ' ASN . 1.5 p80 -119.17 138.84 52.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.4 pttt -42.51 -55.04 3.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.3 m -37.94 -51.69 1.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.512 ' HB2' ' CE1' ' A' ' 24' ' ' HIS . 0.2 OUTLIER -59.04 -48.04 83.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.8 tp -58.57 -52.8 64.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.6 mt -49.24 -41.42 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 94.2 mt -64.21 -39.35 85.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.45 ' CD2' ' C ' ' A' ' 31' ' ' HIS . 1.3 t60 -71.11 -46.35 61.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -48.43 -20.63 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.5 mttm -55.73 -30.69 61.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.443 HD11 ' CE1' ' A' ' 31' ' ' HIS . 20.4 pt -63.25 -7.22 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.072 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.539 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 85.7 m-70 -112.13 -34.09 6.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 74.6 p -66.69 -43.93 83.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -43.83 -50.43 7.29 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -91.87 85.69 5.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.854 0.359 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -122.32 68.97 30.03 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.666 0.746 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -39.22 6.84 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.666 2.244 . . . . 0.0 112.36 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.7 t -128.67 96.03 4.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.52 174.41 50.49 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.451 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 99.78 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.322 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.8 m -83.86 164.34 19.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.9 t -101.79 136.64 41.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.48 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.9 m -60.16 114.66 2.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.831 0.348 . . . . 0.0 110.859 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 t -77.44 145.8 36.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.831 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -42.29 118.12 1.56 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.44 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.3 m -110.69 106.21 15.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 110.854 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.0 m -119.97 164.87 15.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.826 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.23 104.77 0.22 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.549 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 45.9 p -120.19 152.86 37.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.82 0.343 . . . . 0.0 111.146 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -103.92 52.55 0.75 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.468 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 9' ' ' GLY . 9.1 tp10 34.37 44.52 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 0.0 110.852 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -48.13 144.59 5.8 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.593 0.711 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.502 ' HB2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.74 -50.83 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.698 2.265 . . . . 0.0 112.338 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.502 ' CD2' ' HB2' ' A' ' 12' ' ' PRO . 16.1 m-85 -158.56 145.17 17.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 97.5 mt -137.22 145.78 29.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.141 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.6 t -78.84 124.06 27.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.9 t -83.17 37.37 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.506 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 6.3 mm-40 -134.81 -49.71 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.3 p -114.55 -50.84 2.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.04 43.52 0.36 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -104.8 149.73 25.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.0 t -111.39 142.17 24.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -130.75 152.36 50.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.4 m -77.1 -39.1 50.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.125 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -116.44 127.91 55.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.2 tttp -48.74 -40.5 28.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.445 ' CG2' ' N ' ' A' ' 27' ' ' ASN . 1.6 t -50.13 -41.57 49.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.445 ' N ' ' CG2' ' A' ' 26' ' ' THR . 2.7 m120 -69.01 -39.6 79.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.1 tp -64.52 -43.34 94.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 74.3 mt -61.89 -38.79 81.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.49 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 28.0 mt -73.06 -36.03 49.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.508 ' CE1' HD12 ' A' ' 34' ' ' ILE . 4.4 t60 -64.52 -50.63 66.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -44.7 -21.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.961 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 30' ' ' ILE . 26.7 mmtt -52.54 -36.71 56.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.508 HD12 ' CE1' ' A' ' 31' ' ' HIS . 23.5 pt -57.36 -11.51 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.506 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 68.4 m-70 -108.39 -27.47 9.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.9 p -60.16 -48.88 79.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.095 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 172.74 160.7 21.83 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.472 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -115.52 -59.38 2.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.829 0.347 . . . . 0.0 110.85 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -49.53 152.37 2.39 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.599 0.714 . . . . 0.0 110.849 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 122.51 9.19 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.682 2.255 . . . . 0.0 112.346 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.6 t -40.99 133.04 2.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -160.95 -90.28 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -44.62 1.99 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.692 2.261 . . . . 0.0 112.378 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.9 p 42.88 43.86 3.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.1 m 41.83 41.92 2.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.477 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t -75.26 165.42 25.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 110.906 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.1 p -122.69 140.92 52.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.16 -164.49 47.95 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -123.95 -51.14 1.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.902 0.382 . . . . 0.0 110.9 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.1 t -77.01 -60.47 2.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.76 -151.07 22.85 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.47 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.4 t -111.84 141.01 46.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.861 0.362 . . . . 0.0 111.149 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.16 86.09 0.75 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.458 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -104.08 118.57 36.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 110.922 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -50.31 153.84 2.37 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.624 0.726 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.577 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.67 -50.79 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.695 2.263 . . . . 0.0 112.369 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.577 ' CD1' ' O ' ' A' ' 12' ' ' PRO . 7.9 m-85 -162.44 139.34 7.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.3 mt -129.25 136.92 58.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.164 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.407 ' SG ' ' CD ' ' A' ' 17' ' ' GLU . 8.5 t -64.4 127.65 32.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.1 t -84.73 18.01 2.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.407 ' CD ' ' SG ' ' A' ' 15' ' ' CYS . 2.2 mp0 -114.67 -62.25 1.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.2 p -101.9 -50.42 3.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.36 42.65 0.38 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.493 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.3 tttp -107.51 128.68 54.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.821 0.343 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.463 HG23 ' N ' ' A' ' 22' ' ' PHE . 11.7 p -91.42 145.37 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.463 ' N ' HG23 ' A' ' 21' ' ' VAL . 71.7 m-85 -130.76 143.12 50.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 m -83.19 15.1 3.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -156.89 125.67 5.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.47 ' HG2' ' N ' ' A' ' 26' ' ' THR . 0.0 OUTLIER -52.51 -33.78 46.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.47 ' N ' ' HG2' ' A' ' 25' ' ' LYS . 3.1 m -69.63 -46.73 65.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -57.12 -39.35 74.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.9 tp -64.26 -52.08 60.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 74.2 mt -55.29 -48.49 76.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.065 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 79.7 mt -57.98 -33.4 46.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.558 ' CE1' HD12 ' A' ' 34' ' ' ILE . 3.8 t60 -70.05 -53.16 18.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -40.94 -24.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' HIS . 14.1 mmtm -51.17 -44.45 61.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.558 HD12 ' CE1' ' A' ' 31' ' ' HIS . 20.5 pt -50.74 -21.84 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -88.92 19.67 3.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.3 t -167.56 132.17 1.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -119.77 -137.21 5.42 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.494 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -122.84 92.95 3.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.839 0.352 . . . . 0.0 110.902 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.416 ' NH1' ' HB2' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -112.12 81.14 3.58 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.606 0.717 . . . . 0.0 110.877 -179.91 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 106.49 1.66 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.664 2.243 . . . . 0.0 112.331 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.2 m -51.07 117.17 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 53.06 -158.26 4.11 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.456 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 89.92 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.704 2.269 . . . . 0.0 112.334 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.2 t -86.41 -60.57 1.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.853 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.2 t -158.64 171.81 19.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.48 -179.946 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.2 t -61.96 156.36 21.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.372 . . . . 0.0 110.881 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.2 m -127.17 171.69 11.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.817 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.69 -124.27 0.13 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.1 p -156.42 152.87 28.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.825 0.345 . . . . 0.0 110.88 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.7 p -115.96 167.74 10.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 8' ' ' THR . . . 139.85 -141.07 11.25 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.5 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 7' ' ' GLY . 8.9 t 34.01 48.87 0.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 111.155 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.88 179.42 29.35 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -111.63 91.05 3.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.827 0.346 . . . . 0.0 110.885 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.442 ' ND2' ' H ' ' A' ' 13' ' ' PHE . 0.6 OUTLIER -103.49 139.91 20.56 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.637 0.732 . . . . 0.0 110.89 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.547 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 54.2 Cg_endo -69.74 -50.94 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.69 2.26 . . . . 0.0 112.381 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.547 ' CG ' ' O ' ' A' ' 12' ' ' PRO . 97.7 m-85 -162.7 157.44 21.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.464 HG22 ' N ' ' A' ' 15' ' ' CYS . 18.4 mm -148.02 141.35 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.103 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.464 ' N ' HG22 ' A' ' 14' ' ' ILE . 43.1 t -78.24 127.78 32.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.408 ' C ' ' OE1' ' A' ' 17' ' ' GLU . 8.6 t -84.05 22.93 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.473 ' HG2' ' CB ' ' A' ' 35' ' ' HIS . 1.8 mp0 -118.45 -54.9 2.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.86 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.5 p -113.09 -51.42 2.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.44 39.49 0.37 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.489 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.563 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -91.49 150.91 21.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.814 0.34 . . . . 0.0 110.93 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.5 p -113.26 136.99 47.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.067 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.563 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 84.7 m-85 -132.11 139.52 48.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.6 m -77.23 -37.44 53.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.162 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 25' ' ' LYS . 7.3 t-80 -111.21 114.32 27.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 24' ' ' HIS . 49.0 tttm -34.26 -46.49 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.4 m -49.57 -48.56 48.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.101 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 24' ' ' HIS . 0.1 OUTLIER -56.59 -45.99 81.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.85 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.441 HD13 ' CD1' ' A' ' 22' ' ' PHE . 12.1 tp -58.31 -46.74 85.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.7 mt -56.96 -42.53 79.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.411 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 85.8 mt -60.39 -45.61 96.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.571 ' CE1' HD13 ' A' ' 34' ' ' ILE . 1.2 t60 -63.83 -43.35 96.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -49.52 -19.7 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.411 ' CG ' ' O ' ' A' ' 30' ' ' ILE . 28.0 mmtt -56.73 -29.04 62.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.571 HD13 ' CE1' ' A' ' 31' ' ' HIS . 13.7 pt -72.09 -9.82 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.151 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.473 ' CB ' ' HG2' ' A' ' 17' ' ' GLU . 83.6 m-70 -115.65 19.17 15.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.5 p -128.34 38.44 3.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 58.82 78.95 0.11 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.518 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -124.9 -56.01 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.832 0.348 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.2 mtp85 -64.62 143.82 98.68 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.612 0.72 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 85.43 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.261 . . . . 0.0 112.352 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.3 t -110.49 -54.73 2.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -163.18 -153.08 7.09 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.486 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 132.87 24.22 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.645 2.23 . . . . 0.0 112.382 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.0 t -119.39 144.32 46.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.869 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.6 m -68.96 172.81 6.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.085 -0.842 . . . . 0.0 112.515 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -91.64 158.54 16.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 110.891 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t -49.2 -58.34 5.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.36 151.62 5.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.496 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.3 m -112.19 116.6 30.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.883 0.373 . . . . 0.0 110.846 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 t -137.22 152.58 50.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 8' ' ' THR . . . -140.94 -43.69 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.502 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 7' ' ' GLY . 26.4 p -36.31 113.23 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.838 0.352 . . . . 0.0 111.164 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.99 -65.32 0.46 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.453 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -81.38 -55.36 4.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.92 0.39 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -79.75 140.55 54.87 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.593 0.711 . . . . 0.0 110.923 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.551 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.71 -51.14 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.669 2.246 . . . . 0.0 112.357 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.551 ' CG ' ' O ' ' A' ' 12' ' ' PRO . 88.7 m-85 -162.17 127.27 3.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 94.2 mt -126.57 115.62 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.103 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.9 t -49.14 123.2 6.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.3 m -84.39 28.89 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -130.83 -37.64 1.31 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -124.2 -47.43 1.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.15 45.66 0.68 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.571 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 12.9 ttmt -103.46 142.69 33.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.892 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.1 t -102.29 127.04 56.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.555 ' CE1' HD12 ' A' ' 28' ' ' LEU . 1.8 m-85 -118.4 150.86 38.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 98.1 m -75.72 -48.97 19.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.14 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.574 ' CE1' ' HB2' ' A' ' 27' ' ' ASN . 2.9 p80 -113.7 121.59 44.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 24' ' ' HIS . 27.3 ttmt -32.82 -56.76 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 25' ' ' LYS . 23.8 m -34.14 -52.21 0.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.178 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.574 ' HB2' ' CE1' ' A' ' 24' ' ' HIS . 2.4 t-20 -55.17 -47.51 75.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.555 HD12 ' CE1' ' A' ' 22' ' ' PHE . 13.5 tp -59.18 -47.56 84.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.4 mt -56.77 -46.02 83.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 64.7 mt -67.76 -35.12 71.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.113 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.571 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 2.1 t60 -68.72 -47.49 66.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -49.51 -19.35 0.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -57.9 -30.05 65.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.9 pt -62.47 -7.35 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.074 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 58.6 m-70 -112.62 16.04 19.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.4 p -128.52 112.4 14.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -170.05 -172.36 36.46 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.511 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -114.43 174.9 5.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.872 0.367 . . . . 0.0 110.866 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.447 ' HD2' ' N ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -147.38 141.13 15.48 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.601 0.715 . . . . 0.0 110.865 -179.92 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -175.99 1.35 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.645 2.23 . . . . 0.0 112.346 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 76.9 p -105.74 37.07 2.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.826 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -121.81 158.62 16.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 99.24 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.68 2.253 . . . . 0.0 112.298 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 45' ' ' SER . 63.7 m -81.1 46.12 0.89 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 44' ' ' SER . 8.0 t 35.6 41.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.162 -0.799 . . . . 0.0 112.497 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.1 p -149.28 145.07 26.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 110.854 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -108.74 127.72 54.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.59 91.65 0.55 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.521 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.2 t -162.67 131.8 4.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 110.898 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.3 t -109.29 -56.05 2.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.92 -94.28 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.487 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.1 m -65.68 100.47 0.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.83 0.347 . . . . 0.0 111.119 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -139.57 52.13 0.72 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -102.78 45.09 0.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.836 0.351 . . . . 0.0 110.871 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.57 132.02 94.15 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.62 0.724 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.54 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.81 -50.8 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.702 2.268 . . . . 0.0 112.326 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.54 ' CG ' ' O ' ' A' ' 12' ' ' PRO . 45.5 m-85 -161.43 143.94 12.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.3 mt -130.54 147.81 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.084 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.4 t -89.67 91.4 8.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.8 t -47.61 -20.0 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.826 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.488 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 8.0 mt-10 -70.62 -58.32 3.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.4 p -106.96 -50.04 3.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.86 19.59 2.21 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -82.34 156.14 24.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.85 0.357 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.8 t -117.8 133.71 63.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.083 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -123.67 142.19 51.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.1 m -69.37 -45.71 68.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -101.49 131.54 47.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -51.65 -45.59 63.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.1 m -56.43 -43.2 79.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -55.56 -41.24 73.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.5 tp -64.4 -56.17 16.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 44.6 mt -47.3 -48.01 9.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.099 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 65.4 mt -60.32 -32.0 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.503 ' O ' ' N ' ' A' ' 33' ' ' LYS . 7.2 t60 -73.56 -59.22 2.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 31' ' ' HIS . 92.6 mt-30 -36.03 -30.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 31' ' ' HIS . 19.7 mttm -47.25 -48.47 24.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.457 HG13 ' N ' ' A' ' 35' ' ' HIS . 11.2 pt -46.19 -27.03 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.097 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.488 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 65.5 m-70 -79.02 -37.64 38.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.3 t -84.64 -9.87 57.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.24 51.22 28.56 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.435 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -87.13 124.3 33.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.4 144.71 31.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.604 0.716 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 103.03 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.687 2.258 . . . . 0.0 112.365 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.7 p -95.7 108.37 20.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.842 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.69 -158.77 39.51 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 170.0 17.55 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.711 2.274 . . . . 0.0 112.318 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.9 t -100.61 106.89 18.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 77.7 p -72.36 117.3 13.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.247 0 CA-C-O 119.145 -0.809 . . . . 0.0 112.453 -179.962 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.6 m 57.75 42.19 23.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.859 0.361 . . . . 0.0 110.861 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.0 m -83.95 157.45 21.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 138.42 -122.69 2.45 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.441 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 4' ' ' GLY . 94.5 p 34.68 42.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.914 0.387 . . . . 0.0 110.852 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.3 t -133.43 144.38 49.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.83 -71.64 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.512 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.1 t -53.22 158.2 1.66 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.778 0.323 . . . . 0.0 111.17 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.74 -63.0 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -76.39 137.14 39.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.341 . . . . 0.0 110.896 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -148.58 147.0 23.7 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.678 0.751 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.536 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.74 -51.14 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.713 2.275 . . . . 0.0 112.358 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.536 ' CG ' ' O ' ' A' ' 12' ' ' PRO . 30.0 m-85 -161.44 147.66 14.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.447 ' CD1' HG22 ' A' ' 21' ' ' VAL . 27.9 mm -132.16 151.77 35.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.1 t -92.31 121.15 33.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.1 t -81.9 34.91 0.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.456 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 12.1 mt-10 -135.0 -45.5 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -122.25 -47.41 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.8 43.37 0.68 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.527 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 3.4 ttmm -100.53 145.22 28.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.793 0.33 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.447 HG22 ' CD1' ' A' ' 14' ' ' ILE . 60.7 t -99.3 128.42 51.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.57 ' CE1' HD11 ' A' ' 28' ' ' LEU . 79.9 m-85 -123.05 143.28 50.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.9 m -70.55 -44.22 67.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.188 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -103.38 141.2 36.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.3 tttp -61.99 -42.85 99.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.9 m -59.86 -41.52 91.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -56.85 -43.2 80.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.57 HD11 ' CE1' ' A' ' 22' ' ' PHE . 10.5 tp -64.02 -40.75 97.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.1 mt -62.2 -42.21 94.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 79.8 mt -68.06 -33.66 62.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.5 ' O ' ' N ' ' A' ' 33' ' ' LYS . 6.7 t60 -66.98 -59.9 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.832 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 31' ' ' HIS . 41.1 mt-30 -34.78 -31.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 31' ' ' HIS . 24.0 mttm -48.3 -48.95 35.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.449 HG13 ' N ' ' A' ' 35' ' ' HIS . 9.2 pt -44.82 -26.18 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.456 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 45.2 m-70 -77.14 -38.42 51.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.6 t -111.09 114.95 28.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.167 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.19 54.33 1.03 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.524 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -116.85 144.2 44.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 0.0 110.876 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.434 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 17.6 tpp85 41.04 54.62 7.49 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.602 0.715 . . . . 0.0 110.891 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.434 ' CD ' ' N ' ' A' ' 39' ' ' ARG . 53.7 Cg_endo -69.78 178.81 4.21 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.654 2.236 . . . . 0.0 112.382 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.9 m -116.47 115.44 25.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.815 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -120.38 -174.86 15.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 5.25 1.78 Allowed 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.733 2.289 . . . . 0.0 112.363 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -61.75 154.46 25.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 91.6 p -82.42 -48.42 11.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.874 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.487 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 1' ' ' GLY . 95.9 p 36.43 42.03 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 0.0 110.841 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 t -148.38 116.1 6.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.77 179.86 42.31 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.505 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -112.98 81.66 1.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.86 0.362 . . . . 0.0 110.835 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.0 p -173.28 167.61 4.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.11 -63.59 0.18 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.442 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.4 t -173.95 139.12 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 111.196 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.61 63.35 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.466 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -114.88 36.25 3.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.828 0.347 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -160.76 139.53 7.59 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.634 0.73 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -51.17 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.725 2.283 . . . . 0.0 112.346 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -147.99 145.14 28.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.441 HG23 ' N ' ' A' ' 15' ' ' CYS . 36.6 mm -134.78 145.3 32.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.126 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.441 ' N ' HG23 ' A' ' 14' ' ' ILE . 7.9 t -83.48 122.84 29.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.2 m -84.59 27.98 0.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.52 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 9.0 mm-40 -126.3 -46.36 1.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.8 p -116.83 -48.94 2.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.21 41.81 0.53 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt -108.22 151.9 25.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.5 p -110.93 141.66 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.165 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.459 ' CD1' HD12 ' A' ' 28' ' ' LEU . 35.3 m-85 -130.93 143.42 50.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.0 m -69.85 -45.95 66.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.169 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -96.29 141.94 29.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -60.23 -45.68 92.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 92.2 m -61.77 -42.09 98.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 -50.25 -39.6 45.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.459 HD12 ' CD1' ' A' ' 22' ' ' PHE . 10.6 tp -72.25 -46.37 56.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.958 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 38.5 mt -54.69 -46.54 73.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 81.0 mt -64.08 -31.0 51.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.154 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.564 ' CE1' HD12 ' A' ' 34' ' ' ILE . 7.1 t60 -75.78 -43.16 47.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.839 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -51.34 -21.38 2.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.8 mttm -56.56 -23.05 37.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.564 HD12 ' CE1' ' A' ' 31' ' ' HIS . 18.1 pt -69.65 -9.74 12.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.551 ' CE1' HG13 ' A' ' 34' ' ' ILE . 32.5 m-70 -115.37 19.66 15.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 45.6 p -116.87 36.66 4.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -98.4 -62.86 0.87 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.51 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.5 mp0 -44.21 145.14 0.83 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.808 0.337 . . . . 0.0 110.885 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.5 ttp180 -171.26 127.62 0.66 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.613 0.721 . . . . 0.0 110.841 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 138.41 37.85 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.663 2.242 . . . . 0.0 112.379 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.1 t -123.12 50.19 1.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -92.04 -161.86 37.05 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -11.25 30.5 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.666 2.244 . . . . 0.0 112.341 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.5 m -89.96 119.89 30.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.814 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 91.4 p -42.4 129.31 3.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.177 -0.791 . . . . 0.0 112.475 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -106.93 -48.61 3.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.904 0.383 . . . . 0.0 110.836 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.9 p -146.05 163.8 34.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.893 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.42 77.5 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.548 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.3 p -148.5 134.73 19.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.854 0.359 . . . . 0.0 110.874 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 t -70.31 161.36 30.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.85 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.63 63.9 0.4 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.444 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.3 t -146.07 151.0 37.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 111.123 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 164.35 165.99 22.51 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.504 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -78.94 93.58 5.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.841 0.353 . . . . 0.0 110.907 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -125.68 151.73 71.13 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.637 0.732 . . . . 0.0 110.87 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.414 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.8 -50.79 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.659 2.24 . . . . 0.0 112.349 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.548 ' CE1' ' CE ' ' A' ' 25' ' ' LYS . 69.0 m-85 -156.26 120.94 4.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.462 ' CD1' ' HB ' ' A' ' 21' ' ' VAL . 48.5 mm -118.24 152.34 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 17' ' ' GLU . 8.0 t -90.75 90.07 7.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.7 m -40.04 -27.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.558 ' HG2' ' CD2' ' A' ' 35' ' ' HIS . 1.5 mp0 -64.16 -69.07 0.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.2 p -100.36 -50.24 3.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.828 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.17 42.31 0.48 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.8 ttmt -100.17 132.95 45.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.838 0.352 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.462 ' HB ' ' CD1' ' A' ' 14' ' ' ILE . 9.5 p -93.67 133.26 35.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -122.05 132.38 54.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.0 p -63.52 -18.41 63.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.161 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.527 ' CE1' ' HB2' ' A' ' 27' ' ' ASN . 0.9 OUTLIER -141.75 114.77 8.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.548 ' CE ' ' CE1' ' A' ' 13' ' ' PHE . 17.1 ttmt -34.32 -47.05 0.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 25' ' ' LYS . 95.2 m -35.69 -58.55 0.61 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.197 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.527 ' HB2' ' CE1' ' A' ' 24' ' ' HIS . 8.7 t-20 -54.93 -46.29 74.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.8 tp -56.29 -45.31 80.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 66.9 mt -62.81 -36.88 77.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.07 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.8 mt -76.44 -33.16 22.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.514 ' O ' ' N ' ' A' ' 33' ' ' LYS . 9.4 t60 -70.76 -59.55 2.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 31' ' ' HIS . 83.4 mt-30 -34.96 -31.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.514 ' N ' ' O ' ' A' ' 31' ' ' HIS . 26.7 mttp -47.84 -48.77 30.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.455 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -44.69 -25.15 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.187 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.558 ' CD2' ' HG2' ' A' ' 17' ' ' GLU . 59.0 m-70 -81.48 -35.82 30.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 33' ' ' LYS . 2.1 t -92.1 -2.07 56.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.94 51.49 0.86 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.46 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -89.71 113.28 24.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.904 0.383 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.6 mtt-85 -130.42 122.68 20.03 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.639 0.733 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -29.78 23.21 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.666 2.244 . . . . 0.0 112.365 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.3 p 48.2 36.6 6.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.69 -95.34 0.12 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.478 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 130.48 19.47 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.711 2.274 . . . . 0.0 112.314 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.4 t -103.23 167.11 10.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.0 t 49.76 41.96 22.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.475 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -142.58 154.81 44.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.835 0.35 . . . . 0.0 110.857 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.7 t -93.62 100.02 12.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.46 159.58 0.11 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.47 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.4 p -165.03 137.88 4.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.904 0.383 . . . . 0.0 110.88 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 7' ' ' GLY . 10.4 m -118.13 46.08 1.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 35.24 -108.03 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.2 t -141.66 151.09 42.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.769 0.319 . . . . 0.0 111.14 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.87 165.27 30.16 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -149.8 152.8 35.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.361 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 -154.96 134.77 8.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.575 0.703 . . . . 0.0 110.896 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -90.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.687 2.258 . . . . 0.0 112.295 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.531 ' CZ ' ' HB3' ' A' ' 25' ' ' LYS . 75.5 m-85 -115.6 143.59 45.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.84 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.428 ' CD1' HG23 ' A' ' 21' ' ' VAL . 23.0 mm -137.78 154.76 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.171 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.6 t -99.82 117.65 34.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.8 t -72.14 -0.84 12.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.814 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.585 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 69.4 mm-40 -92.66 -48.06 6.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.7 p -118.86 -51.67 2.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.37 34.05 0.98 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.511 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -86.99 166.06 15.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 0.0 110.926 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.428 HG23 ' CD1' ' A' ' 14' ' ' ILE . 14.1 t -118.29 124.2 72.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.174 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.411 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 68.1 m-85 -119.49 133.73 55.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.2 m -67.63 -41.67 83.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -113.07 122.18 46.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.531 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 13.6 ptmt -41.96 -43.17 3.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.432 ' CG2' ' N ' ' A' ' 27' ' ' ASN . 1.4 t -48.31 -40.66 25.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.432 ' N ' ' CG2' ' A' ' 26' ' ' THR . 37.2 t-20 -68.02 -32.28 72.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.854 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.8 tp -74.53 -49.11 23.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 60.3 mt -57.64 -44.44 85.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 67.8 mt -70.02 -31.18 46.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.553 ' CE1' HD13 ' A' ' 34' ' ' ILE . 4.1 t60 -71.53 -51.44 23.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -42.76 -23.8 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 31' ' ' HIS . 41.9 mttt -57.41 -44.91 84.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.553 HD13 ' CE1' ' A' ' 31' ' ' HIS . 15.2 pt -47.22 -21.21 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.165 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.585 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 70.0 m-70 -89.77 -35.94 15.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.836 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.3 t -114.85 49.33 1.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.121 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.43 -61.82 0.1 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -111.11 76.66 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 -123.78 143.95 43.38 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.595 0.712 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -38.93 6.99 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.689 2.259 . . . . 0.0 112.339 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.9 p -97.45 90.34 5.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -148.5 -158.15 7.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 97.41 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.693 2.262 . . . . 0.0 112.329 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 87.2 p -86.37 43.4 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 52.0 m 44.35 41.09 4.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.879 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.486 -179.997 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.9 t -142.04 129.5 21.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.353 . . . . 0.0 110.849 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.5 m -138.17 142.51 40.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.08 72.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 t -86.23 113.49 22.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.864 0.364 . . . . 0.0 110.845 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.8 t -118.85 42.08 2.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.85 -179.02 47.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.47 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.3 m -46.92 123.89 5.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 111.125 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.08 -48.9 5.24 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.458 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -73.34 146.86 44.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.826 0.346 . . . . 0.0 110.915 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 44.3 m-20 -149.11 105.02 3.35 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.659 0.742 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.547 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.74 -50.96 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.72 2.28 . . . . 0.0 112.326 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.547 ' CG ' ' O ' ' A' ' 12' ' ' PRO . 67.7 m-85 -161.83 132.39 4.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 97.6 mt -132.73 127.6 56.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.116 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.8 t -57.7 124.28 18.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.1 t -84.22 32.65 0.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.42 ' OE2' ' CB ' ' A' ' 35' ' ' HIS . 11.7 mt-10 -133.45 -44.36 0.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.6 p -117.42 -49.95 2.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.75 44.55 0.5 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.499 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.5 tttp -105.47 138.25 41.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.806 0.336 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 77.9 t -96.8 135.19 31.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.177 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -124.21 137.21 54.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.1 p -57.88 -53.47 57.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 25' ' ' LYS . 1.3 p80 -121.42 129.52 53.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.815 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.536 ' HD3' ' CE1' ' A' ' 13' ' ' PHE . 13.2 tptm -34.84 -54.05 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 25' ' ' LYS . 24.8 m -33.88 -50.1 0.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.404 ' HB2' ' CE1' ' A' ' 24' ' ' HIS . 2.4 t-20 -63.01 -44.23 96.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 25' ' ' LYS . 6.6 tp -61.87 -48.14 81.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 51.0 mt -55.21 -38.43 47.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.145 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.1 mt -70.13 -32.94 52.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.473 ' O ' ' N ' ' A' ' 33' ' ' LYS . 12.1 t60 -73.3 -60.19 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -40.04 -25.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 31' ' ' HIS . 28.8 mttm -51.49 -44.3 62.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.452 HG13 ' N ' ' A' ' 35' ' ' HIS . 19.8 pt -52.38 -31.16 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.105 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.452 ' N ' HG13 ' A' ' 34' ' ' ILE . 50.9 m-70 -70.98 -37.71 72.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.0 t -97.16 127.26 42.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 133.25 -89.08 0.26 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.517 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -104.61 -47.05 4.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.342 . . . . 0.0 110.905 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.0 mmt85 -56.58 144.9 62.78 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.62 0.724 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.73 133.35 25.42 Favored 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.733 2.289 . . . . 0.0 112.375 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.0 m -113.62 143.51 44.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.55 145.86 46.26 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.481 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -48.08 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.688 2.259 . . . . 0.0 112.375 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.1 m -93.2 118.35 31.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 51.0 m -77.69 89.31 3.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 CA-C-O 119.107 -0.83 . . . . 0.0 112.53 -179.945 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.4 p -67.45 163.72 20.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.906 0.384 . . . . 0.0 110.83 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.0 p -160.5 160.9 32.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.863 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 98.27 -41.26 2.29 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.528 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 4' ' ' GLY . 36.0 m 35.31 41.66 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.844 0.354 . . . . 0.0 110.851 -179.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.9 p -78.99 156.19 28.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.14 61.62 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.2 t -91.03 137.77 32.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.804 0.335 . . . . 0.0 111.171 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -126.35 59.26 0.67 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.447 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -97.93 -58.41 1.99 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.807 0.337 . . . . 0.0 110.835 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.455 ' ND2' ' CG2' ' A' ' 21' ' ' VAL . 73.1 m-20 -49.33 152.97 1.92 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.61 0.719 . . . . 0.0 110.913 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.429 ' HB2' ' CD2' ' A' ' 13' ' ' PHE . 54.2 Cg_endo -69.76 -49.98 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.644 2.229 . . . . 0.0 112.394 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.429 ' CD2' ' HB2' ' A' ' 12' ' ' PRO . 49.8 m-85 -150.52 125.21 9.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.448 HG23 ' N ' ' A' ' 15' ' ' CYS . 21.5 mt -122.48 143.58 34.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.448 ' N ' HG23 ' A' ' 14' ' ' ILE . 49.3 t -80.09 132.86 36.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.8 m -75.43 -17.51 60.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.529 ' HG3' ' CG ' ' A' ' 35' ' ' HIS . 15.3 mm-40 -77.68 -67.76 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.9 p -99.5 -52.99 3.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.31 44.3 0.57 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.457 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.8 tttp -96.63 130.35 43.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.825 0.345 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.455 ' CG2' ' ND2' ' A' ' 11' ' ' ASN . 95.5 t -83.84 130.58 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -121.22 149.86 42.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.7 m -49.81 -62.97 1.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.146 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.47 ' CD2' ' OD1' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -127.13 161.09 29.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -50.77 -31.79 17.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.5 m -57.86 -41.31 82.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.47 ' OD1' ' CD2' ' A' ' 24' ' ' HIS . 3.2 m120 -71.16 -41.56 70.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.1 tp -62.5 -46.98 85.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.9 mt -56.33 -40.94 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 80.1 mt -63.68 -34.75 69.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.537 ' CE1' HD12 ' A' ' 34' ' ' ILE . 5.7 t60 -76.81 -58.49 3.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 31' ' ' HIS . 67.7 mt-30 -34.66 -31.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.52 ' N ' ' O ' ' A' ' 31' ' ' HIS . 1.6 mtpm? -47.32 -48.22 25.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.537 HD12 ' CE1' ' A' ' 31' ' ' HIS . 8.1 pt -53.57 -26.41 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.529 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 90.5 m-70 -84.29 12.37 6.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.825 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 33' ' ' LYS . 14.8 t -160.25 130.26 5.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.161 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -41.16 -90.82 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.6 tp10 52.41 42.26 31.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.857 0.361 . . . . 0.0 110.896 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.3 ppt_? -171.11 150.84 3.01 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.619 0.723 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 87.6 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.674 2.25 . . . . 0.0 112.357 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 42' ' ' GLY . 70.4 m -46.23 -39.61 10.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 41' ' ' SER . . . -35.41 140.01 0.2 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.518 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -18.39 37.13 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.649 2.233 . . . . 0.0 112.366 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 t -68.75 77.36 0.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 t -59.77 100.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.869 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.143 -0.81 . . . . 0.0 112.499 179.968 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.0 p -152.17 128.99 10.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.876 0.37 . . . . 0.0 110.838 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.1 p -133.13 147.83 52.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.54 -140.98 4.01 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.512 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.0 m -130.77 112.25 12.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.884 0.373 . . . . 0.0 110.844 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.3 m -111.31 -48.88 3.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 8' ' ' THR . . . 82.66 43.04 7.99 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 7' ' ' GLY . 27.7 p 35.01 40.5 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.879 0.371 . . . . 0.0 111.144 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.56 -119.11 14.17 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -132.71 97.53 4.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.792 0.329 . . . . 0.0 110.881 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.43 ' CG ' HD11 ' A' ' 14' ' ' ILE . 8.3 m-80 -67.88 150.15 97.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.577 0.703 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.571 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 53.4 Cg_endo -69.82 -54.48 0.21 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.672 2.248 . . . . 0.0 112.307 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.571 ' CG ' ' O ' ' A' ' 12' ' ' PRO . 35.5 m-85 -162.62 121.16 2.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.43 HD11 ' CG ' ' A' ' 11' ' ' ASN . 71.1 mt -125.17 140.59 47.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.408 ' N ' HG22 ' A' ' 14' ' ' ILE . 14.3 t -69.4 122.36 18.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.5 m -84.18 35.46 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.851 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.472 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 6.5 mm-40 -133.17 -50.33 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.875 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.2 p -113.78 -46.72 3.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.39 40.23 0.55 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.504 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.7 tttp -103.8 124.9 49.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.788 0.328 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.8 p -94.05 139.09 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -125.62 137.24 53.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.9 m -61.7 -44.0 97.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -104.95 143.03 33.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.5 pttm -59.52 -42.03 91.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.2 m -56.9 -46.85 81.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.171 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -50.24 -49.7 52.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.2 tp -56.31 -57.3 12.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.9 mt -46.48 -44.42 6.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 42.2 mt -62.12 -35.12 67.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.461 ' O ' ' N ' ' A' ' 33' ' ' LYS . 35.9 t60 -73.63 -63.44 1.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 35' ' ' HIS . 87.5 mt-30 -40.66 -24.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 31' ' ' HIS . 13.6 mtpt -46.29 -32.21 2.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.473 HG13 ' N ' ' A' ' 35' ' ' HIS . 28.5 pt -71.91 -31.5 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.134 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.473 ' N ' HG13 ' A' ' 34' ' ' ILE . 75.2 m-70 -75.32 -38.53 60.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.2 t -83.18 -37.1 24.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -139.52 173.24 22.9 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.513 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 60.23 48.37 8.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.876 0.37 . . . . 0.0 110.898 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.49 152.37 71.56 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.601 0.715 . . . . 0.0 110.893 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 118.01 5.43 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 93.1 p -48.56 104.98 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.97 -95.21 0.23 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -173.64 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.665 2.244 . . . . 0.0 112.301 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 45' ' ' SER . 3.2 t 51.48 42.21 29.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 44' ' ' SER . 50.3 p -35.14 124.56 0.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.097 -0.835 . . . . 0.0 112.473 -179.99 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.568 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.813 0.256 . . . . 0.0 112.322 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.568 ' CD1' ' O ' ' A' ' 12' ' ' PRO . 37.6 m-85 -161.71 154.7 20.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.0 mt -147.79 136.2 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.479 ' O ' ' N ' ' A' ' 19' ' ' GLY . 8.2 t -75.36 89.53 2.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.6 m -41.08 -27.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.475 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 72.7 mm-40 -64.23 -65.94 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.4 p -101.59 -43.42 5.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 111.17 45.12 0.88 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.518 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.502 ' HG2' ' CE1' ' A' ' 22' ' ' PHE . 15.1 tttp -103.52 128.66 50.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.807 0.337 . . . . 0.0 110.882 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.5 p -87.74 134.78 26.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.502 ' CE1' ' HG2' ' A' ' 20' ' ' LYS . 69.6 m-85 -123.32 147.91 46.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.4 m -69.42 -45.54 68.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -111.91 142.02 44.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -59.55 -25.95 64.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.437 ' CG2' ' N ' ' A' ' 27' ' ' ASN . 1.3 t -71.64 -40.11 69.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.437 ' N ' ' CG2' ' A' ' 26' ' ' THR . 19.7 t-20 -63.79 -37.04 85.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.451 HD22 ' HB3' ' A' ' 13' ' ' PHE . 12.6 tp -68.16 -51.06 50.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.958 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.2 mt -54.03 -42.67 55.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 24.1 mt -63.79 -32.69 57.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.433 ' O ' ' N ' ' A' ' 33' ' ' LYS . 3.2 t60 -72.51 -52.56 15.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -42.45 -23.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 31' ' ' HIS . 36.4 mmtt -48.97 -40.09 29.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 27.1 pt -60.27 -27.05 38.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.171 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.475 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 50.8 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.593 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.804 0.252 . . . . 0.0 112.36 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' A' ' 12' ' ' PRO . 5.2 m-85 -160.94 146.82 14.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 94.7 mt -135.2 131.04 51.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.16 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.534 ' HA ' HD11 ' A' ' 28' ' ' LEU . 27.4 t -58.48 128.42 37.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.7 t -84.89 28.73 0.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.404 ' CB ' ' ND1' ' A' ' 35' ' ' HIS . 7.6 mm-40 -129.38 -50.68 1.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.876 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.4 p -113.17 -50.47 2.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.54 44.37 0.47 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.45 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.45 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 36.4 tttp -104.75 140.9 37.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.821 0.343 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.0 t -92.3 139.6 17.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.45 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 25.5 m-85 -130.08 145.06 51.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.0 m -74.44 -44.16 53.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.161 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.416 ' HB3' ' CG ' ' A' ' 27' ' ' ASN . 7.4 t-80 -101.69 136.57 41.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.573 ' HD3' ' CE1' ' A' ' 13' ' ' PHE . 14.1 tptp -58.32 -44.81 88.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.449 ' HA ' HD12 ' A' ' 29' ' ' ILE . 33.2 m -60.68 -40.28 91.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.148 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.416 ' CG ' ' HB3' ' A' ' 24' ' ' HIS . 39.9 m-20 -58.78 -43.03 90.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.534 HD11 ' HA ' ' A' ' 15' ' ' CYS . 9.8 tp -62.86 -45.68 91.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.449 HD12 ' HA ' ' A' ' 26' ' ' THR . 27.9 mt -58.86 -48.11 87.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.166 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.485 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 63.0 mt -59.0 -36.79 63.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.631 ' O ' HG23 ' A' ' 34' ' ' ILE . 2.4 t60 -65.47 -44.95 85.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -48.57 -21.68 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.485 ' CG ' ' O ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -58.31 -12.08 3.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.631 HG23 ' O ' ' A' ' 31' ' ' HIS . 20.4 pt -81.81 -5.96 9.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.406 ' CE1' HD11 ' A' ' 34' ' ' ILE . 19.7 m80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.586 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 53.7 Cg_endo . . . . . 0 N--CA 1.466 -0.143 0 CA-C-O 120.868 0.278 . . . . 0.0 112.378 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 12' ' ' PRO . 29.0 m-85 -154.64 138.95 16.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 16.7 mm -126.61 142.57 42.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.47 ' O ' ' N ' ' A' ' 17' ' ' GLU . 8.6 t -93.28 82.49 4.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.2 t -40.32 -25.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 15' ' ' CYS . 1.7 mp0 -65.87 -64.3 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.435 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 28.4 p -100.5 -46.04 5.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 113.08 39.28 1.16 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.482 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.4 tttt -105.53 149.3 26.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.4 p -108.48 131.78 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.163 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -121.99 153.71 38.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.7 m -79.13 -42.54 26.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.194 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -117.48 125.52 51.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 28' ' ' LEU . 13.5 mtmm -40.25 -51.8 2.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.465 ' CG2' ' N ' ' A' ' 27' ' ' ASN . 1.3 t -37.81 -42.14 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.114 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.465 ' N ' ' CG2' ' A' ' 26' ' ' THR . 6.5 m120 -67.24 -39.23 86.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.89 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 25' ' ' LYS . 6.0 tp -73.42 -55.12 6.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 57.6 mt -49.79 -42.06 17.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.115 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.454 HD12 ' O ' ' A' ' 26' ' ' THR . 47.0 mt -74.47 -35.62 39.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -69.13 -29.2 67.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -63.19 -19.69 64.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.966 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -58.84 -19.22 39.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 pt -82.73 -4.09 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.435 ' CE1' ' HB3' ' A' ' 18' ' ' CYS . 75.9 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.588 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.777 0.24 . . . . 0.0 112.321 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.588 ' CD1' ' O ' ' A' ' 12' ' ' PRO . 7.0 m-85 -162.57 151.66 15.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.432 HG13 ' C ' ' A' ' 13' ' ' PHE . 58.5 mt -145.71 139.96 21.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.6 t -79.45 114.19 18.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 81.9 p -60.88 -23.52 65.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.588 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 11.4 mm-40 -69.75 -63.98 0.97 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.929 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.5 p -101.92 -54.26 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.45 41.19 0.69 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.455 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.7 tttt -99.41 133.48 43.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.808 0.337 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 57.7 t -83.65 135.25 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.495 ' CD1' HD13 ' A' ' 28' ' ' LEU . 56.7 m-85 -120.06 149.72 41.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.0 m -79.63 -36.91 37.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -114.98 118.13 32.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.857 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.505 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 16.8 pttm -42.0 -43.26 3.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.504 ' HA ' HD12 ' A' ' 29' ' ' ILE . 38.8 m -57.33 -48.61 78.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -52.24 -47.19 65.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.495 HD13 ' CD1' ' A' ' 22' ' ' PHE . 19.4 tp -58.81 -53.04 62.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' A' ' 26' ' ' THR . 29.0 mt -50.83 -42.21 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 76.4 mt -68.05 -32.41 56.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.503 ' O ' ' N ' ' A' ' 33' ' ' LYS . 2.1 t60 -70.33 -53.89 14.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -39.25 -25.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 31' ' ' HIS . 54.3 mttt -56.37 -45.99 80.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.441 HG13 ' N ' ' A' ' 35' ' ' HIS . 13.4 pt -46.06 -26.99 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.17 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.588 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 89.4 m-70 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.816 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.515 ' HB2' ' CD2' ' A' ' 13' ' ' PHE . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.862 0.276 . . . . 0.0 112.368 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.515 ' CD2' ' HB2' ' A' ' 12' ' ' PRO . 18.0 m-85 -154.16 159.01 41.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.683 HG12 HG22 ' A' ' 21' ' ' VAL . 90.2 mt -143.77 145.38 22.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 17' ' ' GLU . 8.3 t -84.78 87.85 7.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.2 m -39.99 -25.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 15' ' ' CYS . 1.5 mp0 -67.36 -69.76 0.29 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.7 p -93.37 -50.43 5.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.94 39.65 0.69 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.5 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -104.62 146.19 29.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.816 0.341 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.683 HG22 HG12 ' A' ' 14' ' ' ILE . 97.5 t -102.17 137.94 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.157 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.425 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 24.2 m-85 -127.12 137.57 53.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.0 m -68.55 -46.71 68.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -91.78 134.4 34.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -42.45 79.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 m -68.89 -31.89 71.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -61.71 -33.75 74.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 tp -76.39 -47.28 23.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.9 mt -58.59 -44.39 89.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.36 -30.71 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.571 ' O ' HG23 ' A' ' 34' ' ' ILE . 2.4 t60 -79.24 -42.96 24.73 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -50.92 -21.15 1.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.952 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.9 mttp -56.96 -26.73 60.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.571 HG23 ' O ' ' A' ' 31' ' ' HIS . 16.6 pt -66.26 -6.44 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.141 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 179.87 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.418 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.206 0 CA-C-O 120.823 0.26 . . . . 0.0 112.285 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.504 ' CE1' ' HE2' ' A' ' 25' ' ' LYS . 87.2 m-85 -157.64 121.58 4.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.415 HG22 ' N ' ' A' ' 15' ' ' CYS . 73.7 mt -117.61 152.37 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 19' ' ' GLY . 33.7 t -90.29 88.84 7.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.6 t -43.71 -25.12 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -64.89 -52.85 54.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.1 p -114.38 -49.81 2.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 121.93 31.07 1.15 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.478 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -96.62 125.26 40.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.794 0.33 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.0 p -90.05 138.6 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.085 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -127.47 150.25 49.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.4 m -80.84 -39.95 25.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.118 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -100.09 127.13 46.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.504 ' HE2' ' CE1' ' A' ' 13' ' ' PHE . 15.5 ttmm -52.5 -34.24 48.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 m -72.57 -41.75 65.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.147 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -54.09 -41.02 67.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.6 tp -64.24 -48.71 74.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 93.4 mt -55.27 -46.62 78.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 51.0 mt -58.98 -33.01 48.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.51 ' O ' ' N ' ' A' ' 33' ' ' LYS . 4.8 t60 -74.47 -59.25 2.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 31' ' ' HIS . 92.0 mt-30 -36.09 -29.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.51 ' N ' ' O ' ' A' ' 31' ' ' HIS . 46.6 mttt -47.81 -47.82 30.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.452 HG13 ' N ' ' A' ' 35' ' ' HIS . 12.3 pt -44.94 -26.18 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.452 ' N ' HG13 ' A' ' 34' ' ' ILE . 55.5 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.829 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.537 ' HB2' ' CD1' ' A' ' 13' ' ' PHE . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.155 0 CA-C-O 120.837 0.266 . . . . 0.0 112.339 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.636 ' HB3' HD22 ' A' ' 28' ' ' LEU . 11.1 m-85 -160.95 131.81 5.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.516 HG12 HG22 ' A' ' 21' ' ' VAL . 83.7 mt -125.05 140.27 48.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.7 t -73.23 126.75 30.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.1 t -84.38 34.86 0.53 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.485 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 6.9 mm-40 -134.4 -53.79 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.1 p -108.7 -50.29 3.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.48 40.21 0.59 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.402 ' HD3' ' CZ ' ' A' ' 22' ' ' PHE . 16.3 tttp -98.22 154.82 17.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.797 0.332 . . . . 0.0 110.937 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.516 HG22 HG12 ' A' ' 14' ' ' ILE . 57.9 t -114.01 134.67 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.402 ' CZ ' ' HD3' ' A' ' 20' ' ' LYS . 92.6 m-85 -127.63 132.36 49.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.7 m -57.97 -46.85 84.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -96.57 145.22 25.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -65.98 -51.4 58.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.476 ' HA ' HD12 ' A' ' 29' ' ' ILE . 35.8 m -52.5 -48.74 65.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -49.52 -44.16 46.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.636 HD22 ' HB3' ' A' ' 13' ' ' PHE . 13.0 tp -61.88 -51.14 69.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.476 HD12 ' HA ' ' A' ' 26' ' ' THR . 50.5 mt -51.46 -41.13 25.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.406 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 55.2 mt -65.41 -39.88 86.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.087 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -66.94 -48.03 69.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -47.78 -20.39 0.29 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.406 ' CG ' ' O ' ' A' ' 30' ' ' ILE . 29.3 mmtm -54.46 -32.24 57.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 23.5 pt -62.94 -10.17 5.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.081 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.485 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 78.9 m-70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.838 0.266 . . . . 0.0 112.329 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.502 ' O ' HG13 ' A' ' 21' ' ' VAL . 95.0 m-85 -154.97 152.63 29.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.856 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.918 HG12 HG22 ' A' ' 21' ' ' VAL . 84.5 mt -145.96 136.17 18.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.6 t -65.19 126.98 29.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.5 m -84.04 22.01 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.539 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 47.0 mm-40 -122.52 -53.02 1.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.9 p -108.62 -52.96 2.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.31 39.99 0.46 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.524 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.7 tttt -102.02 138.1 39.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.81 0.338 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.918 HG22 HG12 ' A' ' 14' ' ' ILE . 90.8 t -96.77 136.29 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -122.35 169.65 10.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.6 m -80.41 -55.65 4.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.59 ' CD2' ' HB2' ' A' ' 27' ' ' ASN . 1.4 p-80 -119.17 138.84 52.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.4 pttt -42.51 -55.04 3.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.3 m -37.94 -51.69 1.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.59 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 3.3 t-20 -59.04 -48.04 83.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.8 tp -58.57 -52.8 64.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.6 mt -49.24 -41.42 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 94.2 mt -64.21 -39.35 85.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.45 ' CD2' ' C ' ' A' ' 31' ' ' HIS . 1.3 t60 -71.11 -46.35 61.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -48.43 -20.63 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.5 mttm -55.73 -30.69 61.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.427 HG23 ' O ' ' A' ' 31' ' ' HIS . 20.4 pt -63.25 -7.22 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.072 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.539 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 85.7 m-70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.496 ' HB2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.198 0 CA-C-O 120.834 0.264 . . . . 0.0 112.338 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.571 ' HB3' HD22 ' A' ' 28' ' ' LEU . 16.1 m-85 -158.56 145.17 17.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.793 HG12 HG22 ' A' ' 21' ' ' VAL . 97.5 mt -137.22 145.78 29.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.141 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.6 t -78.84 124.06 27.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.9 t -83.17 37.37 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -134.81 -49.71 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.3 p -114.55 -50.84 2.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.04 43.52 0.36 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -104.8 149.73 25.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.793 HG22 HG12 ' A' ' 14' ' ' ILE . 91.0 t -111.39 142.17 24.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -130.75 152.36 50.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.4 m -77.1 -39.1 50.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.125 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -116.44 127.91 55.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.482 ' HE3' HD11 ' A' ' 29' ' ' ILE . 29.2 tttp -48.74 -40.5 28.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.445 ' CG2' ' N ' ' A' ' 27' ' ' ASN . 1.6 t -50.13 -41.57 49.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.445 ' N ' ' CG2' ' A' ' 26' ' ' THR . 2.7 m120 -69.01 -39.6 79.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.571 HD22 ' HB3' ' A' ' 13' ' ' PHE . 6.1 tp -64.52 -43.34 94.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.482 HD11 ' HE3' ' A' ' 25' ' ' LYS . 74.3 mt -61.89 -38.79 81.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.49 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 28.0 mt -73.06 -36.03 49.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.41 ' C ' ' N ' ' A' ' 33' ' ' LYS . 4.4 t60 -64.52 -50.63 66.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -44.7 -21.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.961 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 30' ' ' ILE . 26.7 mmtt -52.54 -36.71 56.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 23.5 pt -57.36 -11.51 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 26.0 m80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 179.882 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.577 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.133 0 CA-C-O 120.848 0.27 . . . . 0.0 112.369 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.632 ' O ' HG23 ' A' ' 21' ' ' VAL . 7.9 m-85 -162.44 139.34 7.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.3 mt -129.25 136.92 58.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.164 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.407 ' SG ' ' CD ' ' A' ' 17' ' ' GLU . 8.5 t -64.4 127.65 32.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.1 t -84.73 18.01 2.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.407 ' CD ' ' SG ' ' A' ' 15' ' ' CYS . 2.2 mp0 -114.67 -62.25 1.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.2 p -101.9 -50.42 3.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.36 42.65 0.38 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.493 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.3 tttp -107.51 128.68 54.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.821 0.343 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 13' ' ' PHE . 11.7 p -91.42 145.37 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -130.76 143.12 50.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 m -83.19 15.1 3.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -156.89 125.67 5.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.463 ' HG2' ' N ' ' A' ' 26' ' ' THR . 0.0 OUTLIER -52.51 -33.78 46.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.463 ' N ' ' HG2' ' A' ' 25' ' ' LYS . 3.1 m -69.63 -46.73 65.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -57.12 -39.35 74.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.9 tp -64.26 -52.08 60.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 74.2 mt -55.29 -48.49 76.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.065 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 79.7 mt -57.98 -33.4 46.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.458 ' O ' ' N ' ' A' ' 33' ' ' LYS . 3.8 t60 -70.05 -53.16 18.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -40.94 -24.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' HIS . 14.1 mmtm -51.17 -44.45 61.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.5 pt -50.74 -21.84 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.86 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.547 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.826 0.261 . . . . 0.0 112.381 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.547 ' CG ' ' O ' ' A' ' 12' ' ' PRO . 97.7 m-85 -162.7 157.44 21.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 18.4 mm -148.02 141.35 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.103 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.454 ' SG ' ' CD ' ' A' ' 17' ' ' GLU . 43.1 t -78.24 127.78 32.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.408 ' C ' ' OE1' ' A' ' 17' ' ' GLU . 8.6 t -84.05 22.93 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.476 ' HG2' ' CB ' ' A' ' 35' ' ' HIS . 1.8 mp0 -118.45 -54.9 2.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.86 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.5 p -113.09 -51.42 2.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.44 39.49 0.37 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.489 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.577 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -91.49 150.91 21.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.814 0.34 . . . . 0.0 110.93 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.5 p -113.26 136.99 47.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.067 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.577 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 84.7 m-85 -132.11 139.52 48.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.6 m -77.23 -37.44 53.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.162 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 25' ' ' LYS . 7.3 t-80 -111.21 114.32 27.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 24' ' ' HIS . 49.0 tttm -34.26 -46.49 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.4 m -49.57 -48.56 48.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.101 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 24' ' ' HIS . 4.4 t-20 -56.59 -45.99 81.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.85 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.504 HD22 ' HB3' ' A' ' 13' ' ' PHE . 12.1 tp -58.31 -46.74 85.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.7 mt -56.96 -42.53 79.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.411 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 85.8 mt -60.39 -45.61 96.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.432 ' CD2' ' C ' ' A' ' 31' ' ' HIS . 1.2 t60 -63.83 -43.35 96.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.41 HE21 HD11 ' A' ' 28' ' ' LEU . 83.9 mt-30 -49.52 -19.7 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.411 ' CG ' ' O ' ' A' ' 30' ' ' ILE . 28.0 mmtt -56.73 -29.04 62.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.7 pt -72.09 -9.82 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.151 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.476 ' CB ' ' HG2' ' A' ' 17' ' ' GLU . 83.6 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.551 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.862 0.276 . . . . 0.0 112.357 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.847 ' HB3' HD22 ' A' ' 28' ' ' LEU . 88.7 m-85 -162.17 127.27 3.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.427 HG12 HG22 ' A' ' 21' ' ' VAL . 94.2 mt -126.57 115.62 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.103 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.9 t -49.14 123.2 6.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.3 m -84.39 28.89 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -130.83 -37.64 1.31 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -124.2 -47.43 1.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.15 45.66 0.68 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.573 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 12.9 ttmt -103.46 142.69 33.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.892 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.427 HG22 HG12 ' A' ' 14' ' ' ILE . 26.1 t -102.29 127.04 56.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.493 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 1.8 m-85 -118.4 150.86 38.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 98.1 m -75.72 -48.97 19.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.14 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.533 ' CE1' ' HB2' ' A' ' 27' ' ' ASN . 7.8 p-80 -113.7 121.59 44.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 24' ' ' HIS . 27.3 ttmt -32.82 -56.76 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 25' ' ' LYS . 23.8 m -34.14 -52.21 0.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.178 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.533 ' HB2' ' CE1' ' A' ' 24' ' ' HIS . 2.4 t-20 -55.17 -47.51 75.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.847 HD22 ' HB3' ' A' ' 13' ' ' PHE . 13.5 tp -59.18 -47.56 84.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.4 mt -56.77 -46.02 83.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 64.7 mt -67.76 -35.12 71.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.113 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.573 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 2.1 t60 -68.72 -47.49 66.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -49.51 -19.35 0.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -57.9 -30.05 65.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.459 HG23 ' O ' ' A' ' 31' ' ' HIS . 20.9 pt -62.47 -7.35 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.074 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 58.6 m-70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 179.88 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.54 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.148 0 CA-C-O 120.83 0.263 . . . . 0.0 112.326 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.54 ' CG ' ' O ' ' A' ' 12' ' ' PRO . 45.5 m-85 -161.43 143.94 12.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.817 HG12 HG22 ' A' ' 21' ' ' VAL . 70.3 mt -130.54 147.81 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.084 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.4 t -89.67 91.4 8.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.8 t -47.61 -20.0 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.826 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.613 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 8.0 mt-10 -70.62 -58.32 3.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.4 p -106.96 -50.04 3.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.86 19.59 2.21 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -82.34 156.14 24.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.85 0.357 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.817 HG22 HG12 ' A' ' 14' ' ' ILE . 98.8 t -117.8 133.71 63.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.083 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -123.67 142.19 51.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.1 m -69.37 -45.71 68.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -101.49 131.54 47.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -51.65 -45.59 63.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.1 m -56.43 -43.2 79.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -55.56 -41.24 73.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.5 tp -64.4 -56.17 16.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 44.6 mt -47.3 -48.01 9.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.099 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 65.4 mt -60.32 -32.0 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.503 ' O ' ' N ' ' A' ' 33' ' ' LYS . 7.2 t60 -73.56 -59.22 2.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 31' ' ' HIS . 92.6 mt-30 -36.03 -30.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 31' ' ' HIS . 19.7 mttm -47.25 -48.47 24.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.472 HG13 ' N ' ' A' ' 35' ' ' HIS . 11.2 pt -46.19 -27.03 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.097 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.613 ' CE1' ' HB2' ' A' ' 17' ' ' GLU . 35.7 m170 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.536 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.838 0.266 . . . . 0.0 112.358 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.536 ' CG ' ' O ' ' A' ' 12' ' ' PRO . 30.0 m-85 -161.44 147.66 14.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.471 ' CD1' HG22 ' A' ' 21' ' ' VAL . 27.9 mm -132.16 151.77 35.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.401 ' HA ' HD11 ' A' ' 28' ' ' LEU . 12.1 t -92.31 121.15 33.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.1 t -81.9 34.91 0.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -135.0 -45.5 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -122.25 -47.41 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.8 43.37 0.68 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.53 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 3.4 ttmm -100.53 145.22 28.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.793 0.33 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.471 HG22 ' CD1' ' A' ' 14' ' ' ILE . 60.7 t -99.3 128.42 51.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.53 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 79.9 m-85 -123.05 143.28 50.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.9 m -70.55 -44.22 67.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.188 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -103.38 141.2 36.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.3 tttp -61.99 -42.85 99.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.727 ' HA ' HD12 ' A' ' 29' ' ' ILE . 30.9 m -59.86 -41.52 91.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -56.85 -43.2 80.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.485 HD11 HE21 ' A' ' 32' ' ' GLN . 10.5 tp -64.02 -40.75 97.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.727 HD12 ' HA ' ' A' ' 26' ' ' THR . 18.1 mt -62.2 -42.21 94.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 79.8 mt -68.06 -33.66 62.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.5 ' O ' ' N ' ' A' ' 33' ' ' LYS . 6.7 t60 -66.98 -59.9 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.832 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.485 HE21 HD11 ' A' ' 28' ' ' LEU . 41.1 mt-30 -34.78 -31.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 31' ' ' HIS . 24.0 mttm -48.3 -48.95 35.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.469 HG13 ' N ' ' A' ' 35' ' ' HIS . 9.2 pt -44.82 -26.18 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.469 ' N ' HG13 ' A' ' 34' ' ' ILE . 31.8 m170 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.232 0.185 0 CA-C-O 120.834 0.264 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.75 ' O ' HG23 ' A' ' 21' ' ' VAL . 93.5 m-85 -147.99 145.14 28.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 36.6 mm -134.78 145.3 32.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.126 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.9 t -83.48 122.84 29.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.2 m -84.59 27.98 0.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -126.3 -46.36 1.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.8 p -116.83 -48.94 2.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.21 41.81 0.53 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt -108.22 151.9 25.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 13' ' ' PHE . 12.5 p -110.93 141.66 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.165 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -130.93 143.42 50.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.0 m -69.85 -45.95 66.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.169 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -96.29 141.94 29.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -60.23 -45.68 92.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.623 ' HA ' HD12 ' A' ' 29' ' ' ILE . 92.2 m -61.77 -42.09 98.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 -50.25 -39.6 45.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.6 tp -72.25 -46.37 56.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.958 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.623 HD12 ' HA ' ' A' ' 26' ' ' THR . 38.5 mt -54.69 -46.54 73.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 81.0 mt -64.08 -31.0 51.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.154 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.597 ' O ' HG23 ' A' ' 34' ' ' ILE . 7.1 t60 -75.78 -43.16 47.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.839 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -51.34 -21.38 2.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.8 mttm -56.56 -23.05 37.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.597 HG23 ' O ' ' A' ' 31' ' ' HIS . 18.1 pt -69.65 -9.74 12.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.587 ' CD2' HG13 ' A' ' 34' ' ' ILE . 12.4 m80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.414 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.175 0 CA-C-O 120.777 0.24 . . . . 0.0 112.349 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.548 ' CE1' ' CE ' ' A' ' 25' ' ' LYS . 69.0 m-85 -156.26 120.94 4.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.466 ' CD1' ' HB ' ' A' ' 21' ' ' VAL . 48.5 mm -118.24 152.34 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 17' ' ' GLU . 8.0 t -90.75 90.07 7.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.7 m -40.04 -27.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 15' ' ' CYS . 1.5 mp0 -64.16 -69.07 0.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.2 p -100.36 -50.24 3.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.828 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.17 42.31 0.48 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.8 ttmt -100.17 132.95 45.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.838 0.352 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.466 ' HB ' ' CD1' ' A' ' 14' ' ' ILE . 9.5 p -93.67 133.26 35.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -122.05 132.38 54.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.0 p -63.52 -18.41 63.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.161 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.587 ' CE1' ' HB2' ' A' ' 27' ' ' ASN . 2.7 p-80 -141.75 114.77 8.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.548 ' CE ' ' CE1' ' A' ' 13' ' ' PHE . 17.1 ttmt -34.32 -47.05 0.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 25' ' ' LYS . 95.2 m -35.69 -58.55 0.61 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.197 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.587 ' HB2' ' CE1' ' A' ' 24' ' ' HIS . 8.7 t-20 -54.93 -46.29 74.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.523 HD22 ' HB3' ' A' ' 13' ' ' PHE . 13.8 tp -56.29 -45.31 80.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 66.9 mt -62.81 -36.88 77.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.07 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.8 mt -76.44 -33.16 22.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.514 ' O ' ' N ' ' A' ' 33' ' ' LYS . 9.4 t60 -70.76 -59.55 2.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 31' ' ' HIS . 22.1 mt-30 -34.96 -31.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.514 ' N ' ' O ' ' A' ' 31' ' ' HIS . 26.7 mttp -47.84 -48.77 30.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.47 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -44.69 -25.15 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.187 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.47 ' N ' HG13 ' A' ' 34' ' ' ILE . 35.3 m170 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.149 0 CA-C-O 120.789 0.245 . . . . 0.0 112.295 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.542 ' CZ ' ' HB3' ' A' ' 25' ' ' LYS . 75.5 m-85 -115.6 143.59 45.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.84 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.438 ' CD1' HG22 ' A' ' 21' ' ' VAL . 23.0 mm -137.78 154.76 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.171 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.438 ' N ' HG22 ' A' ' 14' ' ' ILE . 8.6 t -99.82 117.65 34.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.8 t -72.14 -0.84 12.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.814 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.427 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 69.4 mm-40 -92.66 -48.06 6.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.7 p -118.86 -51.67 2.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.37 34.05 0.98 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.511 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.403 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 10.4 ttmm -86.99 166.06 15.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.438 HG22 ' CD1' ' A' ' 14' ' ' ILE . 14.1 t -118.29 124.2 72.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.174 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.411 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 68.1 m-85 -119.49 133.73 55.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.2 m -67.63 -41.67 83.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -113.07 122.18 46.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.542 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 13.6 ptmt -41.96 -43.17 3.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.432 ' CG2' ' N ' ' A' ' 27' ' ' ASN . 1.4 t -48.31 -40.66 25.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.432 ' N ' ' CG2' ' A' ' 26' ' ' THR . 37.2 t-20 -68.02 -32.28 72.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.854 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.8 tp -74.53 -49.11 23.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 60.3 mt -57.64 -44.44 85.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 67.8 mt -70.02 -31.18 46.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.423 ' O ' HG23 ' A' ' 34' ' ' ILE . 4.1 t60 -71.53 -51.44 23.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -42.76 -23.8 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 31' ' ' HIS . 41.9 mttt -57.41 -44.91 84.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.423 HG23 ' O ' ' A' ' 31' ' ' HIS . 15.2 pt -47.22 -21.21 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.165 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.427 ' CE1' ' HB2' ' A' ' 17' ' ' GLU . 35.1 m80 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.836 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.547 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 54.1 Cg_endo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.849 0.271 . . . . 0.0 112.326 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.549 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 67.7 m-85 -161.83 132.39 4.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.722 HG12 HG22 ' A' ' 21' ' ' VAL . 97.6 mt -132.73 127.6 56.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.116 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.8 t -57.7 124.28 18.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.1 t -84.22 32.65 0.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.42 ' OE2' ' CB ' ' A' ' 35' ' ' HIS . 11.7 mt-10 -133.45 -44.36 0.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.6 p -117.42 -49.95 2.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.75 44.55 0.5 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.499 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.5 tttp -105.47 138.25 41.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.806 0.336 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.722 HG22 HG12 ' A' ' 14' ' ' ILE . 77.9 t -96.8 135.19 31.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.177 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -124.21 137.21 54.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.1 p -57.88 -53.47 57.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 25' ' ' LYS . 1.3 p80 -121.42 129.52 53.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.815 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.599 ' HD2' HD23 ' A' ' 28' ' ' LEU . 13.2 tptm -34.84 -54.05 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 25' ' ' LYS . 24.8 m -33.88 -50.1 0.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.408 ' HB2' ' CE1' ' A' ' 24' ' ' HIS . 2.4 t-20 -63.01 -44.23 96.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.599 HD23 ' HD2' ' A' ' 25' ' ' LYS . 6.6 tp -61.87 -48.14 81.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 51.0 mt -55.21 -38.43 47.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.145 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.1 mt -70.13 -32.94 52.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.473 ' O ' ' N ' ' A' ' 33' ' ' LYS . 12.1 t60 -73.3 -60.19 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -40.04 -25.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 31' ' ' HIS . 28.8 mttm -51.49 -44.3 62.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.472 HG13 ' N ' ' A' ' 35' ' ' HIS . 19.8 pt -52.38 -31.16 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.105 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.472 ' N ' HG13 ' A' ' 34' ' ' ILE . 50.9 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.424 ' HB2' ' CD2' ' A' ' 13' ' ' PHE . 54.2 Cg_endo . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.829 0.262 . . . . 0.0 112.394 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.424 ' CD2' ' HB2' ' A' ' 12' ' ' PRO . 49.8 m-85 -150.52 125.21 9.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.479 HG12 HG22 ' A' ' 21' ' ' VAL . 21.5 mt -122.48 143.58 34.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.3 t -80.09 132.86 36.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.8 m -75.43 -17.51 60.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.518 ' HG3' ' CG ' ' A' ' 35' ' ' HIS . 15.3 mm-40 -77.68 -67.76 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.9 p -99.5 -52.99 3.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.31 44.3 0.57 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.457 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.8 tttp -96.63 130.35 43.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.825 0.345 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.479 HG22 HG12 ' A' ' 14' ' ' ILE . 95.5 t -83.84 130.58 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -121.22 149.86 42.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.7 m -49.81 -62.97 1.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.146 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.542 ' H ' ' CD2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -127.13 161.09 29.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -50.77 -31.79 17.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.5 m -57.86 -41.31 82.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.47 ' OD1' ' CD2' ' A' ' 24' ' ' HIS . 3.2 m120 -71.16 -41.56 70.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.1 tp -62.5 -46.98 85.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.9 mt -56.33 -40.94 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 80.1 mt -63.68 -34.75 69.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.52 ' O ' ' N ' ' A' ' 33' ' ' LYS . 5.7 t60 -76.81 -58.49 3.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 31' ' ' HIS . 67.7 mt-30 -34.66 -31.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.52 ' N ' ' O ' ' A' ' 31' ' ' HIS . 1.6 mtpm? -47.32 -48.22 25.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.487 HG13 ' N ' ' A' ' 35' ' ' HIS . 8.1 pt -53.57 -26.41 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.518 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 90.5 m-70 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.825 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.571 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.193 0 CA-C-O 120.811 0.255 . . . . 0.0 112.307 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.571 ' CG ' ' O ' ' A' ' 12' ' ' PRO . 35.5 m-85 -162.62 121.16 2.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 71.1 mt -125.17 140.59 47.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.3 t -69.4 122.36 18.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.5 m -84.18 35.46 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.851 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.487 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 6.5 mm-40 -133.17 -50.33 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.875 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.2 p -113.78 -46.72 3.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.39 40.23 0.55 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.504 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.7 tttp -103.8 124.9 49.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.788 0.328 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.8 p -94.05 139.09 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -125.62 137.24 53.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.9 m -61.7 -44.0 97.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -104.95 143.03 33.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.5 pttm -59.52 -42.03 91.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.2 m -56.9 -46.85 81.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.171 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -50.24 -49.7 52.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.2 tp -56.31 -57.3 12.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.9 mt -46.48 -44.42 6.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 42.2 mt -62.12 -35.12 67.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.461 ' O ' ' N ' ' A' ' 33' ' ' LYS . 35.9 t60 -73.63 -63.44 1.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 35' ' ' HIS . 16.1 mt-30 -40.66 -24.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 31' ' ' HIS . 13.6 mtpt -46.29 -32.21 2.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.491 HG13 ' N ' ' A' ' 35' ' ' HIS . 28.5 pt -71.91 -31.5 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.134 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.491 ' N ' HG13 ' A' ' 34' ' ' ILE . 75.2 m-70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.551 -0.22 . . . . 0.0 112.551 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.1 p -144.17 121.72 11.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.896 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.1 t -53.84 -44.42 70.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.6 43.49 76.25 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.515 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -104.56 174.7 5.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.854 0.359 . . . . 0.0 110.862 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.0 t -152.11 163.06 40.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.07 67.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.3 m -133.95 89.98 2.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.817 0.341 . . . . 0.0 111.131 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 158.99 86.91 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.42 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.422 ' OE1' ' C ' ' A' ' 10' ' ' GLU . 0.7 OUTLIER -39.31 149.29 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.806 0.336 . . . . 0.0 110.92 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -129.76 144.05 51.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.668 0.747 . . . . 0.0 110.829 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.568 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.81 -49.18 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.678 2.252 . . . . 0.0 112.322 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.568 ' CD1' ' O ' ' A' ' 12' ' ' PRO . 37.6 m-85 -161.71 154.7 20.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.0 mt -147.79 136.2 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.479 ' O ' ' N ' ' A' ' 19' ' ' GLY . 8.2 t -75.36 89.53 2.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.6 m -41.08 -27.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.475 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 72.7 mm-40 -64.23 -65.94 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.4 p -101.59 -43.42 5.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 111.17 45.12 0.88 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.518 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.502 ' HG2' ' CE1' ' A' ' 22' ' ' PHE . 15.1 tttp -103.52 128.66 50.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.807 0.337 . . . . 0.0 110.882 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.5 p -87.74 134.78 26.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.502 ' CE1' ' HG2' ' A' ' 20' ' ' LYS . 69.6 m-85 -123.32 147.91 46.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.4 m -69.42 -45.54 68.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -111.91 142.02 44.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -59.55 -25.95 64.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.437 ' CG2' ' N ' ' A' ' 27' ' ' ASN . 1.3 t -71.64 -40.11 69.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.437 ' N ' ' CG2' ' A' ' 26' ' ' THR . 19.7 t-20 -63.79 -37.04 85.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.451 HD22 ' HB3' ' A' ' 13' ' ' PHE . 12.6 tp -68.16 -51.06 50.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.958 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.2 mt -54.03 -42.67 55.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 24.1 mt -63.79 -32.69 57.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.433 ' O ' ' N ' ' A' ' 33' ' ' LYS . 3.2 t60 -72.51 -52.56 15.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -42.45 -23.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 31' ' ' HIS . 36.4 mmtt -48.97 -40.09 29.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 27.1 pt -60.27 -27.05 38.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.171 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.475 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 50.8 m-70 -78.79 -34.88 45.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.91 80.31 2.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -175.63 51.31 0.12 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.496 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.8 142.09 51.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.85 0.357 . . . . 0.0 110.864 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -86.87 143.91 36.06 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.602 0.715 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 165.01 32.43 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.644 2.229 . . . . 0.0 112.3 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.4 m -41.72 -59.09 1.76 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 162.12 -157.77 29.65 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.461 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.9 Cg_endo -69.79 -14.64 36.28 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.703 2.269 . . . . 0.0 112.328 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 43' ' ' PRO . 40.1 m -37.89 101.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.824 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.6 p -134.1 -36.72 0.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.824 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.503 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -72.63 81.36 1.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 110.833 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.4 p -89.71 86.99 6.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.56 42.37 2.23 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.527 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 t -72.56 81.16 1.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 0.0 110.861 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -154.58 156.99 37.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.66 44.84 3.16 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.1 m -63.86 -28.56 69.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.866 0.365 . . . . 0.0 111.162 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.81 -30.53 63.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.498 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 59.85 45.52 12.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.804 0.335 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -106.2 143.86 27.8 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.642 0.734 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.593 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.76 -50.55 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.669 2.246 . . . . 0.0 112.36 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' A' ' 12' ' ' PRO . 5.2 m-85 -160.94 146.82 14.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 94.7 mt -135.2 131.04 51.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.16 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.534 ' HA ' HD11 ' A' ' 28' ' ' LEU . 27.4 t -58.48 128.42 37.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.7 t -84.89 28.73 0.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.604 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 7.6 mm-40 -129.38 -50.68 1.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.876 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.4 p -113.17 -50.47 2.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.54 44.37 0.47 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.45 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.45 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 36.4 tttp -104.75 140.9 37.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.821 0.343 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.0 t -92.3 139.6 17.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.45 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 25.5 m-85 -130.08 145.06 51.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.0 m -74.44 -44.16 53.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.161 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.416 ' HB3' ' CG ' ' A' ' 27' ' ' ASN . 7.4 t-80 -101.69 136.57 41.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.573 ' HD3' ' CE1' ' A' ' 13' ' ' PHE . 14.1 tptp -58.32 -44.81 88.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.449 ' HA ' HD12 ' A' ' 29' ' ' ILE . 33.2 m -60.68 -40.28 91.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.148 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.416 ' CG ' ' HB3' ' A' ' 24' ' ' HIS . 39.9 m-20 -58.78 -43.03 90.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.534 HD11 ' HA ' ' A' ' 15' ' ' CYS . 9.8 tp -62.86 -45.68 91.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.449 HD12 ' HA ' ' A' ' 26' ' ' THR . 27.9 mt -58.86 -48.11 87.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.166 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.485 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 63.0 mt -59.0 -36.79 63.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.631 ' O ' HG23 ' A' ' 34' ' ' ILE . 2.4 t60 -65.47 -44.95 85.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -48.57 -21.68 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.485 ' CG ' ' O ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -58.31 -12.08 3.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.631 HG23 ' O ' ' A' ' 31' ' ' HIS . 20.4 pt -81.81 -5.96 9.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.604 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 59.9 m-70 -116.3 -30.73 5.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.7 p -87.04 144.72 26.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 161.66 -64.89 0.26 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.519 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -69.28 153.04 44.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 110.86 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -143.64 136.15 13.46 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.625 0.726 . . . . 0.0 110.847 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -49.5 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.694 2.263 . . . . 0.0 112.323 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 93.7 p -174.89 133.09 0.33 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -114.84 168.15 12.49 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.505 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -7.17 20.4 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.621 2.214 . . . . 0.0 112.328 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.2 t -42.01 -43.77 3.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 64.9 m -133.61 172.93 12.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.813 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.108 -0.829 . . . . 0.0 112.512 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.0 p -99.1 83.39 2.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.923 0.392 . . . . 0.0 110.832 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.5 p -122.82 83.32 2.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.98 -64.39 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.537 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.6 t -47.62 137.63 8.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.912 0.387 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.2 t -142.72 161.57 37.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.07 50.16 0.45 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.2 t -92.75 -20.67 20.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.342 . . . . 0.0 111.16 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 41.57 -138.31 2.18 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -131.29 103.2 6.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.832 0.348 . . . . 0.0 110.851 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -152.59 156.4 33.25 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.638 0.732 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.586 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.76 -49.25 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.689 2.26 . . . . 0.0 112.378 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 12' ' ' PRO . 29.0 m-85 -154.64 138.95 16.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 16.7 mm -126.61 142.57 42.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.47 ' O ' ' N ' ' A' ' 17' ' ' GLU . 8.6 t -93.28 82.49 4.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.2 t -40.32 -25.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 15' ' ' CYS . 1.7 mp0 -65.87 -64.3 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.435 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 28.4 p -100.5 -46.04 5.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 113.08 39.28 1.16 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.482 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.4 tttt -105.53 149.3 26.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.4 p -108.48 131.78 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.163 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -121.99 153.71 38.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.7 m -79.13 -42.54 26.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.194 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -117.48 125.52 51.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 28' ' ' LEU . 13.5 mtmm -40.25 -51.8 2.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.465 ' CG2' ' N ' ' A' ' 27' ' ' ASN . 1.3 t -37.81 -42.14 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.114 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.465 ' N ' ' CG2' ' A' ' 26' ' ' THR . 6.5 m120 -67.24 -39.23 86.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.89 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 25' ' ' LYS . 6.0 tp -73.42 -55.12 6.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 57.6 mt -49.79 -42.06 17.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.115 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.454 HD12 ' O ' ' A' ' 26' ' ' THR . 47.0 mt -74.47 -35.62 39.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -69.13 -29.2 67.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -63.19 -19.69 64.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.966 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -58.84 -19.22 39.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 pt -82.73 -4.09 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.435 ' CE1' ' HB3' ' A' ' 18' ' ' CYS . 75.9 m-70 -113.03 -10.08 13.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.8 p -81.86 -40.56 22.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.95 91.32 1.42 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.491 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -73.23 140.83 47.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.829 0.347 . . . . 0.0 110.876 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.8 ptt180 -62.26 145.87 93.39 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.589 0.709 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 179.59 3.64 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.649 2.232 . . . . 0.0 112.298 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.9 m -43.18 165.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -85.94 -104.46 0.73 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.525 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -48.62 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.668 2.245 . . . . 0.0 112.374 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.0 p -170.69 133.64 1.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.2 m -126.93 -50.19 1.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 CA-C-O 119.071 -0.85 . . . . 0.0 112.486 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -154.3 130.18 10.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.869 0.366 . . . . 0.0 110.838 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -52.45 -61.06 2.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.61 136.95 3.07 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.503 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.1 p -122.12 112.07 17.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 110.839 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.9 p -157.72 131.51 7.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.829 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.42 166.93 17.72 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.484 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.9 m -61.16 127.69 32.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.822 0.344 . . . . 0.0 111.159 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.54 -45.36 67.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 74.13 40.05 0.46 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.834 0.349 . . . . 0.0 110.909 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -154.82 143.39 14.64 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.612 0.72 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.588 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.74 -50.79 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.687 2.258 . . . . 0.0 112.321 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.588 ' CD1' ' O ' ' A' ' 12' ' ' PRO . 7.0 m-85 -162.57 151.66 15.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.432 HG13 ' C ' ' A' ' 13' ' ' PHE . 58.5 mt -145.71 139.96 21.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.6 t -79.45 114.19 18.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 81.9 p -60.88 -23.52 65.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.588 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 11.4 mm-40 -69.75 -63.98 0.97 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.929 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.5 p -101.92 -54.26 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.45 41.19 0.69 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.455 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.7 tttt -99.41 133.48 43.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.808 0.337 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 57.7 t -83.65 135.25 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.495 ' CD1' HD13 ' A' ' 28' ' ' LEU . 56.7 m-85 -120.06 149.72 41.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.0 m -79.63 -36.91 37.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -114.98 118.13 32.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.857 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.505 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 16.8 pttm -42.0 -43.26 3.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.504 ' HA ' HD12 ' A' ' 29' ' ' ILE . 38.8 m -57.33 -48.61 78.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -52.24 -47.19 65.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.495 HD13 ' CD1' ' A' ' 22' ' ' PHE . 19.4 tp -58.81 -53.04 62.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' A' ' 26' ' ' THR . 29.0 mt -50.83 -42.21 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 76.4 mt -68.05 -32.41 56.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.503 ' O ' ' N ' ' A' ' 33' ' ' LYS . 2.1 t60 -70.33 -53.89 14.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -39.25 -25.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 31' ' ' HIS . 54.3 mttt -56.37 -45.99 80.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.441 HG13 ' N ' ' A' ' 35' ' ' HIS . 13.4 pt -46.06 -26.99 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.17 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.588 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 89.4 m-70 -78.38 -37.78 43.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.816 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.456 HG22 ' HA ' ' A' ' 33' ' ' LYS . 13.0 t -99.78 143.49 29.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.136 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 173.12 -84.44 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.461 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -71.5 156.34 39.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.847 0.356 . . . . 0.0 110.912 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.436 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 11.4 mmt180 54.92 54.95 10.72 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.634 0.731 . . . . 0.0 110.854 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.436 ' CD ' ' N ' ' A' ' 39' ' ' ARG . 53.6 Cg_endo -69.73 -170.42 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.728 2.286 . . . . 0.0 112.321 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.0 t -136.03 118.31 15.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 115.23 -161.34 12.83 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.475 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -177.13 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.691 2.261 . . . . 0.0 112.328 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.7 t -143.65 111.57 6.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.817 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.7 m -70.66 -48.87 52.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.188 -0.784 . . . . 0.0 112.503 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.3 m -107.49 140.23 40.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.878 0.37 . . . . 0.0 110.865 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.7 t -97.45 151.15 20.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.52 -84.46 0.37 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.498 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.7 m -77.34 85.21 3.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.836 0.351 . . . . 0.0 110.87 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 m -153.04 112.0 3.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.44 45.69 1.43 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.533 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.533 ' O ' HG22 ' A' ' 8' ' ' THR . 18.0 m 56.71 41.33 28.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.784 0.326 . . . . 0.0 111.152 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.31 -177.28 16.62 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.486 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -118.45 155.64 30.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 110.838 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.13 152.4 91.58 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.636 0.732 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.515 ' HB2' ' CD2' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.77 -48.86 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.679 2.253 . . . . 0.0 112.368 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.515 ' CD2' ' HB2' ' A' ' 12' ' ' PRO . 18.0 m-85 -154.16 159.01 41.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.683 HG12 HG22 ' A' ' 21' ' ' VAL . 90.2 mt -143.77 145.38 22.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 17' ' ' GLU . 8.3 t -84.78 87.85 7.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.2 m -39.99 -25.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 15' ' ' CYS . 1.5 mp0 -67.36 -69.76 0.29 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.7 p -93.37 -50.43 5.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.94 39.65 0.69 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.5 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -104.62 146.19 29.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.816 0.341 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.683 HG22 HG12 ' A' ' 14' ' ' ILE . 97.5 t -102.17 137.94 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.157 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.425 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 24.2 m-85 -127.12 137.57 53.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.0 m -68.55 -46.71 68.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -91.78 134.4 34.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -42.45 79.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 m -68.89 -31.89 71.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -61.71 -33.75 74.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 tp -76.39 -47.28 23.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.9 mt -58.59 -44.39 89.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.36 -30.71 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.571 ' O ' HG23 ' A' ' 34' ' ' ILE . 2.4 t60 -79.24 -42.96 24.73 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -50.92 -21.15 1.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.952 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.9 mttp -56.96 -26.73 60.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.571 HG23 ' O ' ' A' ' 31' ' ' HIS . 16.6 pt -66.26 -6.44 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.141 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -116.04 -23.36 8.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 56.0 p -80.37 83.12 6.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.94 160.4 14.79 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -120.76 87.7 2.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.472 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 12.9 ttp180 -153.07 140.58 13.29 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.6 0.714 . . . . 0.0 110.854 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 39' ' ' ARG . 54.1 Cg_endo -69.74 -2.46 10.19 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.649 2.233 . . . . 0.0 112.409 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.0 t 57.03 47.07 18.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -118.57 -158.92 10.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.509 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 44' ' ' SER . 54.0 Cg_endo -69.73 165.9 29.37 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.703 2.269 . . . . 0.0 112.371 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 43' ' ' PRO . 58.5 p -37.53 142.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.841 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.1 t -116.24 165.34 13.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.506 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.0 m -86.4 174.09 9.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.847 0.356 . . . . 0.0 110.871 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.2 p -102.77 -46.24 4.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.86 40.36 0.77 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.475 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -115.48 -52.62 2.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.872 0.367 . . . . 0.0 110.842 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -70.71 169.92 13.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.1 -162.04 8.97 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.455 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 66.6 p -78.01 102.56 7.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.812 0.339 . . . . 0.0 111.17 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.34 106.89 0.64 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.453 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -134.03 90.59 2.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.84 0.353 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.42 ' HB2' HD11 ' A' ' 14' ' ' ILE . 45.3 m-80 -142.17 155.49 64.99 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.577 0.704 . . . . 0.0 110.937 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.418 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.81 -50.61 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.692 2.262 . . . . 0.0 112.285 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.504 ' CE1' ' HE2' ' A' ' 25' ' ' LYS . 87.2 m-85 -157.64 121.58 4.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.42 HD11 ' HB2' ' A' ' 11' ' ' ASN . 73.7 mt -117.61 152.37 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 19' ' ' GLY . 33.7 t -90.29 88.84 7.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.6 t -43.71 -25.12 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -64.89 -52.85 54.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.1 p -114.38 -49.81 2.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 121.93 31.07 1.15 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.478 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -96.62 125.26 40.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.794 0.33 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.0 p -90.05 138.6 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.085 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -127.47 150.25 49.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.4 m -80.84 -39.95 25.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.118 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -100.09 127.13 46.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.504 ' HE2' ' CE1' ' A' ' 13' ' ' PHE . 15.5 ttmm -52.5 -34.24 48.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 m -72.57 -41.75 65.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.147 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -54.09 -41.02 67.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.6 tp -64.24 -48.71 74.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 93.4 mt -55.27 -46.62 78.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 51.0 mt -58.98 -33.01 48.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.51 ' O ' ' N ' ' A' ' 33' ' ' LYS . 4.8 t60 -74.47 -59.25 2.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 31' ' ' HIS . 92.0 mt-30 -36.09 -29.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.929 ' O ' HG22 ' A' ' 36' ' ' THR . 46.6 mttt -47.81 -47.82 30.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.452 HG13 ' N ' ' A' ' 35' ' ' HIS . 12.3 pt -44.94 -26.18 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.452 ' N ' HG13 ' A' ' 34' ' ' ILE . 55.5 m-70 -76.63 -38.83 54.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.829 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.929 HG22 ' O ' ' A' ' 33' ' ' LYS . 11.3 t -38.24 154.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 155.39 -106.24 0.29 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.477 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -108.43 143.0 37.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.859 0.361 . . . . 0.0 110.867 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.52 147.13 8.34 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.586 0.708 . . . . 0.0 110.906 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -16.2 37.27 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.692 2.261 . . . . 0.0 112.369 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.6 p 42.57 41.7 2.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.34 134.51 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.532 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -36.12 11.28 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.694 2.263 . . . . 0.0 112.303 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 79.2 p -76.05 68.56 2.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.863 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.7 m -139.42 105.24 5.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.086 -0.841 . . . . 0.0 112.476 -179.948 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.9 t -62.38 98.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.923 0.392 . . . . 0.0 110.85 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -130.66 145.33 51.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.89 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.96 81.95 0.16 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.442 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.8 t -108.37 172.03 7.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.902 0.382 . . . . 0.0 110.867 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.8 t 64.48 41.87 5.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.13 -157.67 28.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.486 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.42 HG23 ' N ' ' A' ' 9' ' ' GLY . 9.7 t -81.63 -41.45 21.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.818 0.342 . . . . 0.0 111.126 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.42 ' N ' HG23 ' A' ' 8' ' ' THR . . . 57.3 -162.26 8.07 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.45 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -90.52 78.68 6.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.886 0.374 . . . . 0.0 110.881 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -155.93 130.44 4.98 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.575 0.703 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.537 ' HB2' ' CD1' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.77 -50.84 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.643 2.229 . . . . 0.0 112.339 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.636 ' HB3' HD22 ' A' ' 28' ' ' LEU . 11.1 m-85 -160.95 131.81 5.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.516 HG12 HG22 ' A' ' 21' ' ' VAL . 83.7 mt -125.05 140.27 48.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.7 t -73.23 126.75 30.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.1 t -84.38 34.86 0.53 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.485 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 6.9 mm-40 -134.4 -53.79 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.1 p -108.7 -50.29 3.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.48 40.21 0.59 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.402 ' HD3' ' CZ ' ' A' ' 22' ' ' PHE . 16.3 tttp -98.22 154.82 17.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.797 0.332 . . . . 0.0 110.937 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.516 HG22 HG12 ' A' ' 14' ' ' ILE . 57.9 t -114.01 134.67 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.402 ' CZ ' ' HD3' ' A' ' 20' ' ' LYS . 92.6 m-85 -127.63 132.36 49.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.7 m -57.97 -46.85 84.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -96.57 145.22 25.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -65.98 -51.4 58.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.476 ' HA ' HD12 ' A' ' 29' ' ' ILE . 35.8 m -52.5 -48.74 65.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -49.52 -44.16 46.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.636 HD22 ' HB3' ' A' ' 13' ' ' PHE . 13.0 tp -61.88 -51.14 69.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.476 HD12 ' HA ' ' A' ' 26' ' ' THR . 50.5 mt -51.46 -41.13 25.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.406 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 55.2 mt -65.41 -39.88 86.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.087 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -66.94 -48.03 69.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -47.78 -20.39 0.29 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.406 ' CG ' ' O ' ' A' ' 30' ' ' ILE . 29.3 mmtm -54.46 -32.24 57.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 23.5 pt -62.94 -10.17 5.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.081 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.485 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 78.9 m-70 -112.93 -32.79 6.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 53.2 p -48.86 108.87 0.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.58 155.32 49.99 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -127.97 41.31 3.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.1 ptt-85 -123.56 152.3 64.9 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.619 0.723 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -49.6 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.694 2.263 . . . . 0.0 112.326 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.2 m -94.22 46.97 1.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -94.49 179.2 37.28 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.528 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 84.28 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.698 2.265 . . . . 0.0 112.326 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.2 t -110.39 139.41 45.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.6 t -75.08 100.04 4.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.498 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.1 p 44.56 42.27 5.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.884 0.373 . . . . 0.0 110.853 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.3 t -156.12 138.42 14.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.16 98.73 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.521 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -85.59 165.38 17.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.824 0.345 . . . . 0.0 110.886 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.7 m -121.1 163.23 18.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.23 91.72 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.426 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.3 p -117.91 106.71 13.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.839 0.352 . . . . 0.0 111.152 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 69.13 76.02 0.5 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.488 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.4 mp0 -63.82 121.04 13.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.903 0.382 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -81.96 142.66 48.57 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.653 0.739 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -50.91 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.669 2.246 . . . . 0.0 112.329 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.502 ' O ' HG13 ' A' ' 21' ' ' VAL . 95.0 m-85 -154.97 152.63 29.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.856 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.918 HG12 HG22 ' A' ' 21' ' ' VAL . 84.5 mt -145.96 136.17 18.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.6 t -65.19 126.98 29.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.5 m -84.04 22.01 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.539 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 47.0 mm-40 -122.52 -53.02 1.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.9 p -108.62 -52.96 2.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.31 39.99 0.46 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.524 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.7 tttt -102.02 138.1 39.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.81 0.338 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.918 HG22 HG12 ' A' ' 14' ' ' ILE . 90.8 t -96.77 136.29 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -122.35 169.65 10.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.6 m -80.41 -55.65 4.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.59 ' CD2' ' HB2' ' A' ' 27' ' ' ASN . 1.4 p-80 -119.17 138.84 52.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.4 pttt -42.51 -55.04 3.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.3 m -37.94 -51.69 1.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.59 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 3.3 t-20 -59.04 -48.04 83.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.8 tp -58.57 -52.8 64.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.6 mt -49.24 -41.42 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 94.2 mt -64.21 -39.35 85.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.45 ' CD2' ' C ' ' A' ' 31' ' ' HIS . 1.3 t60 -71.11 -46.35 61.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -48.43 -20.63 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.5 mttm -55.73 -30.69 61.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.427 HG23 ' O ' ' A' ' 31' ' ' HIS . 20.4 pt -63.25 -7.22 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.072 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.539 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 85.7 m-70 -112.13 -34.09 6.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 74.6 p -66.69 -43.93 83.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -43.83 -50.43 7.29 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -91.87 85.69 5.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.854 0.359 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -122.32 68.97 30.03 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.666 0.746 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -39.22 6.84 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.666 2.244 . . . . 0.0 112.36 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.7 t -128.67 96.03 4.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.52 174.41 50.49 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.451 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 99.78 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.322 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.8 m -83.86 164.34 19.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.9 t -101.79 136.64 41.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.48 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.9 m -60.16 114.66 2.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.831 0.348 . . . . 0.0 110.859 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 t -77.44 145.8 36.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.831 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -42.29 118.12 1.56 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.44 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.3 m -110.69 106.21 15.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 110.854 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.0 m -119.97 164.87 15.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.826 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.23 104.77 0.22 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.549 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 45.9 p -120.19 152.86 37.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.82 0.343 . . . . 0.0 111.146 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -103.92 52.55 0.75 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.468 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 9' ' ' GLY . 9.1 tp10 34.37 44.52 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 0.0 110.852 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -48.13 144.59 5.8 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.593 0.711 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.496 ' HB2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.74 -50.83 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.698 2.265 . . . . 0.0 112.338 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.571 ' HB3' HD22 ' A' ' 28' ' ' LEU . 16.1 m-85 -158.56 145.17 17.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.793 HG12 HG22 ' A' ' 21' ' ' VAL . 97.5 mt -137.22 145.78 29.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.141 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.6 t -78.84 124.06 27.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.9 t -83.17 37.37 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.506 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 6.3 mm-40 -134.81 -49.71 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.3 p -114.55 -50.84 2.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.04 43.52 0.36 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -104.8 149.73 25.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.793 HG22 HG12 ' A' ' 14' ' ' ILE . 91.0 t -111.39 142.17 24.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -130.75 152.36 50.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.4 m -77.1 -39.1 50.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.125 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -116.44 127.91 55.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.482 ' HE3' HD11 ' A' ' 29' ' ' ILE . 29.2 tttp -48.74 -40.5 28.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.445 ' CG2' ' N ' ' A' ' 27' ' ' ASN . 1.6 t -50.13 -41.57 49.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.445 ' N ' ' CG2' ' A' ' 26' ' ' THR . 2.7 m120 -69.01 -39.6 79.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.571 HD22 ' HB3' ' A' ' 13' ' ' PHE . 6.1 tp -64.52 -43.34 94.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.482 HD11 ' HE3' ' A' ' 25' ' ' LYS . 74.3 mt -61.89 -38.79 81.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.49 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 28.0 mt -73.06 -36.03 49.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.41 ' C ' ' N ' ' A' ' 33' ' ' LYS . 4.4 t60 -64.52 -50.63 66.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -44.7 -21.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.961 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 30' ' ' ILE . 26.7 mmtt -52.54 -36.71 56.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 23.5 pt -57.36 -11.51 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.506 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 68.4 m-70 -108.39 -27.47 9.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.402 HG23 ' HA ' ' A' ' 33' ' ' LYS . 37.9 p -60.16 -48.88 79.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.095 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 172.74 160.7 21.83 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.472 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -115.52 -59.38 2.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.829 0.347 . . . . 0.0 110.85 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -49.53 152.37 2.39 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.599 0.714 . . . . 0.0 110.849 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 122.51 9.19 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.682 2.255 . . . . 0.0 112.346 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.6 t -40.99 133.04 2.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -160.95 -90.28 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -44.62 1.99 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.692 2.261 . . . . 0.0 112.378 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.9 p 42.88 43.86 3.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.1 m 41.83 41.92 2.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.477 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t -75.26 165.42 25.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 110.906 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.1 p -122.69 140.92 52.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.16 -164.49 47.95 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -123.95 -51.14 1.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.902 0.382 . . . . 0.0 110.9 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.1 t -77.01 -60.47 2.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.76 -151.07 22.85 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.47 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.4 t -111.84 141.01 46.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.861 0.362 . . . . 0.0 111.149 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.16 86.09 0.75 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.458 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -104.08 118.57 36.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 110.922 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -50.31 153.84 2.37 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.624 0.726 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.577 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.67 -50.79 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.695 2.263 . . . . 0.0 112.369 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.632 ' O ' HG23 ' A' ' 21' ' ' VAL . 7.9 m-85 -162.44 139.34 7.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.3 mt -129.25 136.92 58.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.164 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.407 ' SG ' ' CD ' ' A' ' 17' ' ' GLU . 8.5 t -64.4 127.65 32.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.1 t -84.73 18.01 2.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.407 ' CD ' ' SG ' ' A' ' 15' ' ' CYS . 2.2 mp0 -114.67 -62.25 1.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.2 p -101.9 -50.42 3.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.36 42.65 0.38 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.493 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.3 tttp -107.51 128.68 54.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.821 0.343 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 13' ' ' PHE . 11.7 p -91.42 145.37 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -130.76 143.12 50.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 m -83.19 15.1 3.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -156.89 125.67 5.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.463 ' HG2' ' N ' ' A' ' 26' ' ' THR . 0.0 OUTLIER -52.51 -33.78 46.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.463 ' N ' ' HG2' ' A' ' 25' ' ' LYS . 3.1 m -69.63 -46.73 65.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -57.12 -39.35 74.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.9 tp -64.26 -52.08 60.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 74.2 mt -55.29 -48.49 76.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.065 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 79.7 mt -57.98 -33.4 46.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.458 ' O ' ' N ' ' A' ' 33' ' ' LYS . 3.8 t60 -70.05 -53.16 18.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -40.94 -24.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' HIS . 14.1 mmtm -51.17 -44.45 61.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.5 pt -50.74 -21.84 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -88.92 19.67 3.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.3 t -167.56 132.17 1.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -119.77 -137.21 5.42 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.494 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -122.84 92.95 3.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.839 0.352 . . . . 0.0 110.902 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.412 ' NH1' ' HB2' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -112.12 81.14 3.58 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.606 0.717 . . . . 0.0 110.877 -179.91 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 106.49 1.66 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.664 2.243 . . . . 0.0 112.331 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.2 m -51.07 117.17 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 53.06 -158.26 4.11 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.456 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 89.92 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.704 2.269 . . . . 0.0 112.334 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.2 t -86.41 -60.57 1.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.853 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.2 t -158.64 171.81 19.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.48 -179.946 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.2 t -61.96 156.36 21.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.372 . . . . 0.0 110.881 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.2 m -127.17 171.69 11.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.817 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.69 -124.27 0.13 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.1 p -156.42 152.87 28.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.825 0.345 . . . . 0.0 110.88 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.7 p -115.96 167.74 10.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 8' ' ' THR . . . 139.85 -141.07 11.25 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.5 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 7' ' ' GLY . 8.9 t 34.01 48.87 0.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 111.155 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.88 179.42 29.35 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -111.63 91.05 3.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.827 0.346 . . . . 0.0 110.885 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.423 ' CG ' ' HD2' ' A' ' 12' ' ' PRO . 18.1 t-20 -103.49 139.91 20.56 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.637 0.732 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.547 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 54.2 Cg_endo -69.74 -50.94 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.69 2.26 . . . . 0.0 112.381 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.547 ' CG ' ' O ' ' A' ' 12' ' ' PRO . 97.7 m-85 -162.7 157.44 21.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 18.4 mm -148.02 141.35 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.103 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.454 ' SG ' ' CD ' ' A' ' 17' ' ' GLU . 43.1 t -78.24 127.78 32.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.408 ' C ' ' OE1' ' A' ' 17' ' ' GLU . 8.6 t -84.05 22.93 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.476 ' HG2' ' CB ' ' A' ' 35' ' ' HIS . 1.8 mp0 -118.45 -54.9 2.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.86 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.5 p -113.09 -51.42 2.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.44 39.49 0.37 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.489 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.577 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -91.49 150.91 21.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.814 0.34 . . . . 0.0 110.93 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.5 p -113.26 136.99 47.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.067 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.577 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 84.7 m-85 -132.11 139.52 48.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.6 m -77.23 -37.44 53.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.162 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 25' ' ' LYS . 7.3 t-80 -111.21 114.32 27.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 24' ' ' HIS . 49.0 tttm -34.26 -46.49 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.4 m -49.57 -48.56 48.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.101 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 24' ' ' HIS . 4.4 t-20 -56.59 -45.99 81.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.85 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.504 HD22 ' HB3' ' A' ' 13' ' ' PHE . 12.1 tp -58.31 -46.74 85.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.7 mt -56.96 -42.53 79.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.411 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 85.8 mt -60.39 -45.61 96.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.432 ' CD2' ' C ' ' A' ' 31' ' ' HIS . 1.2 t60 -63.83 -43.35 96.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.41 HE21 HD11 ' A' ' 28' ' ' LEU . 83.9 mt-30 -49.52 -19.7 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.411 ' CG ' ' O ' ' A' ' 30' ' ' ILE . 28.0 mmtt -56.73 -29.04 62.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.7 pt -72.09 -9.82 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.151 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.476 ' CB ' ' HG2' ' A' ' 17' ' ' GLU . 83.6 m-70 -115.65 19.17 15.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.5 p -128.34 38.44 3.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 58.82 78.95 0.11 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.518 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -124.9 -56.01 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.832 0.348 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.2 mtp85 -64.62 143.82 98.68 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.612 0.72 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 85.43 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.261 . . . . 0.0 112.352 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.3 t -110.49 -54.73 2.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -163.18 -153.08 7.09 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.486 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 132.87 24.22 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.645 2.23 . . . . 0.0 112.382 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.0 t -119.39 144.32 46.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.869 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.6 m -68.96 172.81 6.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.085 -0.842 . . . . 0.0 112.515 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -91.64 158.54 16.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 110.891 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t -49.2 -58.34 5.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.36 151.62 5.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.496 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.3 m -112.19 116.6 30.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.883 0.373 . . . . 0.0 110.846 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 t -137.22 152.58 50.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 8' ' ' THR . . . -140.94 -43.69 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.502 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 7' ' ' GLY . 26.4 p -36.31 113.23 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.838 0.352 . . . . 0.0 111.164 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.99 -65.32 0.46 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.453 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -81.38 -55.36 4.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.92 0.39 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -79.75 140.55 54.87 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.593 0.711 . . . . 0.0 110.923 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.551 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.71 -51.14 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.669 2.246 . . . . 0.0 112.357 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.847 ' HB3' HD22 ' A' ' 28' ' ' LEU . 88.7 m-85 -162.17 127.27 3.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.427 HG12 HG22 ' A' ' 21' ' ' VAL . 94.2 mt -126.57 115.62 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.103 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.9 t -49.14 123.2 6.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.3 m -84.39 28.89 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -130.83 -37.64 1.31 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -124.2 -47.43 1.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.15 45.66 0.68 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.573 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 12.9 ttmt -103.46 142.69 33.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.892 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.427 HG22 HG12 ' A' ' 14' ' ' ILE . 26.1 t -102.29 127.04 56.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.493 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 1.8 m-85 -118.4 150.86 38.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 98.1 m -75.72 -48.97 19.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.14 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.533 ' CE1' ' HB2' ' A' ' 27' ' ' ASN . 7.8 p-80 -113.7 121.59 44.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 24' ' ' HIS . 27.3 ttmt -32.82 -56.76 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 25' ' ' LYS . 23.8 m -34.14 -52.21 0.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.178 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.533 ' HB2' ' CE1' ' A' ' 24' ' ' HIS . 2.4 t-20 -55.17 -47.51 75.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.847 HD22 ' HB3' ' A' ' 13' ' ' PHE . 13.5 tp -59.18 -47.56 84.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.4 mt -56.77 -46.02 83.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 64.7 mt -67.76 -35.12 71.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.113 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.573 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 2.1 t60 -68.72 -47.49 66.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -49.51 -19.35 0.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -57.9 -30.05 65.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.459 HG23 ' O ' ' A' ' 31' ' ' HIS . 20.9 pt -62.47 -7.35 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.074 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 58.6 m-70 -112.62 16.04 19.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.4 p -128.52 112.4 14.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -170.05 -172.36 36.46 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.511 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -114.43 174.9 5.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.872 0.367 . . . . 0.0 110.866 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.439 ' HD2' ' N ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -147.38 141.13 15.48 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.601 0.715 . . . . 0.0 110.865 -179.92 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -175.99 1.35 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.645 2.23 . . . . 0.0 112.346 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 76.9 p -105.74 37.07 2.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.826 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -121.81 158.62 16.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 99.24 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.68 2.253 . . . . 0.0 112.298 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 45' ' ' SER . 63.7 m -81.1 46.12 0.89 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 44' ' ' SER . 8.0 t 35.6 41.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.162 -0.799 . . . . 0.0 112.497 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.1 p -149.28 145.07 26.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 110.854 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -108.74 127.72 54.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.59 91.65 0.55 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.521 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.2 t -162.67 131.8 4.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 110.898 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.3 t -109.29 -56.05 2.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.92 -94.28 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.487 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.1 m -65.68 100.47 0.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.83 0.347 . . . . 0.0 111.119 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -139.57 52.13 0.72 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -102.78 45.09 0.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.836 0.351 . . . . 0.0 110.871 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.57 132.02 94.15 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.62 0.724 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.54 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.81 -50.8 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.702 2.268 . . . . 0.0 112.326 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.54 ' CG ' ' O ' ' A' ' 12' ' ' PRO . 45.5 m-85 -161.43 143.94 12.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.817 HG12 HG22 ' A' ' 21' ' ' VAL . 70.3 mt -130.54 147.81 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.084 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.4 t -89.67 91.4 8.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.8 t -47.61 -20.0 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.826 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.488 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 8.0 mt-10 -70.62 -58.32 3.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.4 p -106.96 -50.04 3.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.86 19.59 2.21 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -82.34 156.14 24.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.85 0.357 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.817 HG22 HG12 ' A' ' 14' ' ' ILE . 98.8 t -117.8 133.71 63.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.083 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -123.67 142.19 51.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.1 m -69.37 -45.71 68.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -101.49 131.54 47.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -51.65 -45.59 63.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.1 m -56.43 -43.2 79.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -55.56 -41.24 73.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.5 tp -64.4 -56.17 16.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 44.6 mt -47.3 -48.01 9.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.099 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 65.4 mt -60.32 -32.0 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.503 ' O ' ' N ' ' A' ' 33' ' ' LYS . 7.2 t60 -73.56 -59.22 2.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 31' ' ' HIS . 92.6 mt-30 -36.03 -30.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 31' ' ' HIS . 19.7 mttm -47.25 -48.47 24.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.472 HG13 ' N ' ' A' ' 35' ' ' HIS . 11.2 pt -46.19 -27.03 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.097 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.488 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 65.5 m-70 -79.02 -37.64 38.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.442 HG22 ' O ' ' A' ' 33' ' ' LYS . 2.3 t -84.64 -9.87 57.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.24 51.22 28.56 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.435 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -87.13 124.3 33.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.4 144.71 31.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.604 0.716 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 103.03 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.687 2.258 . . . . 0.0 112.365 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.7 p -95.7 108.37 20.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.842 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.69 -158.77 39.51 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 170.0 17.55 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.711 2.274 . . . . 0.0 112.318 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.9 t -100.61 106.89 18.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 77.7 p -72.36 117.3 13.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.247 0 CA-C-O 119.145 -0.809 . . . . 0.0 112.453 -179.962 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.6 m 57.75 42.19 23.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.859 0.361 . . . . 0.0 110.861 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.0 m -83.95 157.45 21.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 138.42 -122.69 2.45 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.441 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 4' ' ' GLY . 94.5 p 34.68 42.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.914 0.387 . . . . 0.0 110.852 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.3 t -133.43 144.38 49.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.83 -71.64 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.512 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.1 t -53.22 158.2 1.66 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.778 0.323 . . . . 0.0 111.17 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.74 -63.0 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -76.39 137.14 39.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.341 . . . . 0.0 110.896 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -148.58 147.0 23.7 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.678 0.751 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.536 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.74 -51.14 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.713 2.275 . . . . 0.0 112.358 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.536 ' CG ' ' O ' ' A' ' 12' ' ' PRO . 30.0 m-85 -161.44 147.66 14.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.471 ' CD1' HG22 ' A' ' 21' ' ' VAL . 27.9 mm -132.16 151.77 35.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.401 ' HA ' HD11 ' A' ' 28' ' ' LEU . 12.1 t -92.31 121.15 33.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.1 t -81.9 34.91 0.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.456 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 12.1 mt-10 -135.0 -45.5 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -122.25 -47.41 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.8 43.37 0.68 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.53 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 3.4 ttmm -100.53 145.22 28.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.793 0.33 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.471 HG22 ' CD1' ' A' ' 14' ' ' ILE . 60.7 t -99.3 128.42 51.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.53 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 79.9 m-85 -123.05 143.28 50.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.9 m -70.55 -44.22 67.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.188 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -103.38 141.2 36.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.3 tttp -61.99 -42.85 99.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.727 ' HA ' HD12 ' A' ' 29' ' ' ILE . 30.9 m -59.86 -41.52 91.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -56.85 -43.2 80.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.485 HD11 HE21 ' A' ' 32' ' ' GLN . 10.5 tp -64.02 -40.75 97.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.727 HD12 ' HA ' ' A' ' 26' ' ' THR . 18.1 mt -62.2 -42.21 94.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 79.8 mt -68.06 -33.66 62.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.5 ' O ' ' N ' ' A' ' 33' ' ' LYS . 6.7 t60 -66.98 -59.9 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.832 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.485 HE21 HD11 ' A' ' 28' ' ' LEU . 41.1 mt-30 -34.78 -31.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 31' ' ' HIS . 24.0 mttm -48.3 -48.95 35.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.469 HG13 ' N ' ' A' ' 35' ' ' HIS . 9.2 pt -44.82 -26.18 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.469 ' N ' HG13 ' A' ' 34' ' ' ILE . 45.2 m-70 -77.14 -38.42 51.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.442 ' O ' HG23 ' A' ' 36' ' ' THR . 4.6 t -111.09 114.95 28.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.167 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.19 54.33 1.03 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.524 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -116.85 144.2 44.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 0.0 110.876 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.434 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 17.6 tpp85 41.04 54.62 7.49 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.602 0.715 . . . . 0.0 110.891 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.434 ' CD ' ' N ' ' A' ' 39' ' ' ARG . 53.7 Cg_endo -69.78 178.81 4.21 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.654 2.236 . . . . 0.0 112.382 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.9 m -116.47 115.44 25.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.815 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -120.38 -174.86 15.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 5.25 1.78 Allowed 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.733 2.289 . . . . 0.0 112.363 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -61.75 154.46 25.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 91.6 p -82.42 -48.42 11.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.874 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.487 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 1' ' ' GLY . 95.9 p 36.43 42.03 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 0.0 110.841 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 t -148.38 116.1 6.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.77 179.86 42.31 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.505 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -112.98 81.66 1.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.86 0.362 . . . . 0.0 110.835 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.0 p -173.28 167.61 4.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.11 -63.59 0.18 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.442 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.4 t -173.95 139.12 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 111.196 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.61 63.35 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.466 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -114.88 36.25 3.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.828 0.347 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -160.76 139.53 7.59 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.634 0.73 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -51.17 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.725 2.283 . . . . 0.0 112.346 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.75 ' O ' HG23 ' A' ' 21' ' ' VAL . 93.5 m-85 -147.99 145.14 28.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 36.6 mm -134.78 145.3 32.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.126 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.9 t -83.48 122.84 29.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.2 m -84.59 27.98 0.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.52 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 9.0 mm-40 -126.3 -46.36 1.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.8 p -116.83 -48.94 2.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.21 41.81 0.53 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt -108.22 151.9 25.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 13' ' ' PHE . 12.5 p -110.93 141.66 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.165 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -130.93 143.42 50.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.0 m -69.85 -45.95 66.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.169 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -96.29 141.94 29.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -60.23 -45.68 92.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.623 ' HA ' HD12 ' A' ' 29' ' ' ILE . 92.2 m -61.77 -42.09 98.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 -50.25 -39.6 45.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.6 tp -72.25 -46.37 56.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.958 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.623 HD12 ' HA ' ' A' ' 26' ' ' THR . 38.5 mt -54.69 -46.54 73.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 81.0 mt -64.08 -31.0 51.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.154 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.597 ' O ' HG23 ' A' ' 34' ' ' ILE . 7.1 t60 -75.78 -43.16 47.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.839 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -51.34 -21.38 2.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.8 mttm -56.56 -23.05 37.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.597 HG23 ' O ' ' A' ' 31' ' ' HIS . 18.1 pt -69.65 -9.74 12.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.577 ' CE1' HD11 ' A' ' 34' ' ' ILE . 32.5 m-70 -115.37 19.66 15.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 45.6 p -116.87 36.66 4.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -98.4 -62.86 0.87 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.51 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.5 mp0 -44.21 145.14 0.83 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.808 0.337 . . . . 0.0 110.885 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.5 ttp180 -171.26 127.62 0.66 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.613 0.721 . . . . 0.0 110.841 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 138.41 37.85 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.663 2.242 . . . . 0.0 112.379 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.1 t -123.12 50.19 1.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -92.04 -161.86 37.05 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -11.25 30.5 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.666 2.244 . . . . 0.0 112.341 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.5 m -89.96 119.89 30.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.814 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 91.4 p -42.4 129.31 3.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.177 -0.791 . . . . 0.0 112.475 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -106.93 -48.61 3.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.904 0.383 . . . . 0.0 110.836 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.9 p -146.05 163.8 34.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.893 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.42 77.5 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.548 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.3 p -148.5 134.73 19.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.854 0.359 . . . . 0.0 110.874 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 t -70.31 161.36 30.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.85 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.63 63.9 0.4 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.444 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.3 t -146.07 151.0 37.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 111.123 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 164.35 165.99 22.51 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.504 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -78.94 93.58 5.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.841 0.353 . . . . 0.0 110.907 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -125.68 151.73 71.13 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.637 0.732 . . . . 0.0 110.87 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.414 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.8 -50.79 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.659 2.24 . . . . 0.0 112.349 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.548 ' CE1' ' CE ' ' A' ' 25' ' ' LYS . 69.0 m-85 -156.26 120.94 4.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.466 ' CD1' ' HB ' ' A' ' 21' ' ' VAL . 48.5 mm -118.24 152.34 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 17' ' ' GLU . 8.0 t -90.75 90.07 7.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.7 m -40.04 -27.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.557 ' HG2' ' CD2' ' A' ' 35' ' ' HIS . 1.5 mp0 -64.16 -69.07 0.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.2 p -100.36 -50.24 3.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.828 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.17 42.31 0.48 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.8 ttmt -100.17 132.95 45.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.838 0.352 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.466 ' HB ' ' CD1' ' A' ' 14' ' ' ILE . 9.5 p -93.67 133.26 35.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -122.05 132.38 54.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.0 p -63.52 -18.41 63.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.161 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.587 ' CE1' ' HB2' ' A' ' 27' ' ' ASN . 2.7 p-80 -141.75 114.77 8.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.548 ' CE ' ' CE1' ' A' ' 13' ' ' PHE . 17.1 ttmt -34.32 -47.05 0.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 25' ' ' LYS . 95.2 m -35.69 -58.55 0.61 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.197 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.587 ' HB2' ' CE1' ' A' ' 24' ' ' HIS . 8.7 t-20 -54.93 -46.29 74.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.523 HD22 ' HB3' ' A' ' 13' ' ' PHE . 13.8 tp -56.29 -45.31 80.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 66.9 mt -62.81 -36.88 77.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.07 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.8 mt -76.44 -33.16 22.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.514 ' O ' ' N ' ' A' ' 33' ' ' LYS . 9.4 t60 -70.76 -59.55 2.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 31' ' ' HIS . 22.1 mt-30 -34.96 -31.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.514 ' N ' ' O ' ' A' ' 31' ' ' HIS . 26.7 mttp -47.84 -48.77 30.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.47 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -44.69 -25.15 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.187 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.557 ' CD2' ' HG2' ' A' ' 17' ' ' GLU . 59.0 m-70 -81.48 -35.82 30.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 33' ' ' LYS . 2.1 t -92.1 -2.07 56.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.94 51.49 0.86 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.46 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -89.71 113.28 24.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.904 0.383 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.6 mtt-85 -130.42 122.68 20.03 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.639 0.733 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -29.78 23.21 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.666 2.244 . . . . 0.0 112.365 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.3 p 48.2 36.6 6.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.69 -95.34 0.12 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.478 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 130.48 19.47 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.711 2.274 . . . . 0.0 112.314 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.4 t -103.23 167.11 10.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.0 t 49.76 41.96 22.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.475 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -142.58 154.81 44.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.835 0.35 . . . . 0.0 110.857 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.7 t -93.62 100.02 12.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.46 159.58 0.11 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.47 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.4 p -165.03 137.88 4.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.904 0.383 . . . . 0.0 110.88 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 7' ' ' GLY . 10.4 m -118.13 46.08 1.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 35.24 -108.03 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.2 t -141.66 151.09 42.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.769 0.319 . . . . 0.0 111.14 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.87 165.27 30.16 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -149.8 152.8 35.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.361 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 -154.96 134.77 8.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.575 0.703 . . . . 0.0 110.896 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -90.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.687 2.258 . . . . 0.0 112.295 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.542 ' CZ ' ' HB3' ' A' ' 25' ' ' LYS . 75.5 m-85 -115.6 143.59 45.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.84 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.438 ' CD1' HG22 ' A' ' 21' ' ' VAL . 23.0 mm -137.78 154.76 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.171 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.438 ' N ' HG22 ' A' ' 14' ' ' ILE . 8.6 t -99.82 117.65 34.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.8 t -72.14 -0.84 12.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.814 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.585 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 69.4 mm-40 -92.66 -48.06 6.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.7 p -118.86 -51.67 2.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.37 34.05 0.98 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.511 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.403 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 10.4 ttmm -86.99 166.06 15.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.438 HG22 ' CD1' ' A' ' 14' ' ' ILE . 14.1 t -118.29 124.2 72.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.174 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.411 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 68.1 m-85 -119.49 133.73 55.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.2 m -67.63 -41.67 83.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -113.07 122.18 46.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.542 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 13.6 ptmt -41.96 -43.17 3.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.432 ' CG2' ' N ' ' A' ' 27' ' ' ASN . 1.4 t -48.31 -40.66 25.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.432 ' N ' ' CG2' ' A' ' 26' ' ' THR . 37.2 t-20 -68.02 -32.28 72.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.854 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.8 tp -74.53 -49.11 23.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 60.3 mt -57.64 -44.44 85.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 67.8 mt -70.02 -31.18 46.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.423 ' O ' HG23 ' A' ' 34' ' ' ILE . 4.1 t60 -71.53 -51.44 23.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -42.76 -23.8 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 31' ' ' HIS . 41.9 mttt -57.41 -44.91 84.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.423 HG23 ' O ' ' A' ' 31' ' ' HIS . 15.2 pt -47.22 -21.21 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.165 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.585 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 70.0 m-70 -89.77 -35.94 15.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.836 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.3 t -114.85 49.33 1.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.121 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.43 -61.82 0.1 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -111.11 76.66 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 -123.78 143.95 43.38 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.595 0.712 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -38.93 6.99 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.689 2.259 . . . . 0.0 112.339 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.9 p -97.45 90.34 5.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -148.5 -158.15 7.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 97.41 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.693 2.262 . . . . 0.0 112.329 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 87.2 p -86.37 43.4 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 52.0 m 44.35 41.09 4.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.879 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.486 -179.997 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.9 t -142.04 129.5 21.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.353 . . . . 0.0 110.849 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.5 m -138.17 142.51 40.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.08 72.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 t -86.23 113.49 22.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.864 0.364 . . . . 0.0 110.845 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.8 t -118.85 42.08 2.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.85 -179.02 47.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.47 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.3 m -46.92 123.89 5.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 111.125 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.08 -48.9 5.24 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.458 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -73.34 146.86 44.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.826 0.346 . . . . 0.0 110.915 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.435 ' OD1' HD11 ' A' ' 14' ' ' ILE . 44.3 m-20 -149.11 105.02 3.35 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.659 0.742 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.547 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.74 -50.96 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.72 2.28 . . . . 0.0 112.326 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.549 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 67.7 m-85 -161.83 132.39 4.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.722 HG12 HG22 ' A' ' 21' ' ' VAL . 97.6 mt -132.73 127.6 56.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.116 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.8 t -57.7 124.28 18.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.1 t -84.22 32.65 0.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.42 ' OE2' ' CB ' ' A' ' 35' ' ' HIS . 11.7 mt-10 -133.45 -44.36 0.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.6 p -117.42 -49.95 2.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.75 44.55 0.5 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.499 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.5 tttp -105.47 138.25 41.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.806 0.336 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.722 HG22 HG12 ' A' ' 14' ' ' ILE . 77.9 t -96.8 135.19 31.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.177 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -124.21 137.21 54.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.1 p -57.88 -53.47 57.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 25' ' ' LYS . 1.3 p80 -121.42 129.52 53.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.815 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.599 ' HD2' HD23 ' A' ' 28' ' ' LEU . 13.2 tptm -34.84 -54.05 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 25' ' ' LYS . 24.8 m -33.88 -50.1 0.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.408 ' HB2' ' CE1' ' A' ' 24' ' ' HIS . 2.4 t-20 -63.01 -44.23 96.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.599 HD23 ' HD2' ' A' ' 25' ' ' LYS . 6.6 tp -61.87 -48.14 81.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 51.0 mt -55.21 -38.43 47.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.145 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.1 mt -70.13 -32.94 52.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.473 ' O ' ' N ' ' A' ' 33' ' ' LYS . 12.1 t60 -73.3 -60.19 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -40.04 -25.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 31' ' ' HIS . 28.8 mttm -51.49 -44.3 62.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.472 HG13 ' N ' ' A' ' 35' ' ' HIS . 19.8 pt -52.38 -31.16 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.105 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.472 ' N ' HG13 ' A' ' 34' ' ' ILE . 50.9 m-70 -70.98 -37.71 72.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 36' ' ' THR . 10.0 t -97.16 127.26 42.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 133.25 -89.08 0.26 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.517 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -104.61 -47.05 4.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.342 . . . . 0.0 110.905 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.0 mmt85 -56.58 144.9 62.78 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.62 0.724 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.73 133.35 25.42 Favored 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.733 2.289 . . . . 0.0 112.375 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.0 m -113.62 143.51 44.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.55 145.86 46.26 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.481 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -48.08 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.688 2.259 . . . . 0.0 112.375 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.1 m -93.2 118.35 31.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 51.0 m -77.69 89.31 3.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 CA-C-O 119.107 -0.83 . . . . 0.0 112.53 -179.945 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.4 p -67.45 163.72 20.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.906 0.384 . . . . 0.0 110.83 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.0 p -160.5 160.9 32.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.863 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 98.27 -41.26 2.29 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.528 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 4' ' ' GLY . 36.0 m 35.31 41.66 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.844 0.354 . . . . 0.0 110.851 -179.732 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.9 p -78.99 156.19 28.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.14 61.62 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.2 t -91.03 137.77 32.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.804 0.335 . . . . 0.0 111.171 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -126.35 59.26 0.67 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.447 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -97.93 -58.41 1.99 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.807 0.337 . . . . 0.0 110.835 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.623 ' HB2' HD11 ' A' ' 14' ' ' ILE . 7.4 m120 -49.33 152.97 1.92 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.61 0.719 . . . . 0.0 110.913 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.424 ' HB2' ' CD2' ' A' ' 13' ' ' PHE . 54.2 Cg_endo -69.76 -49.98 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.644 2.229 . . . . 0.0 112.394 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.424 ' CD2' ' HB2' ' A' ' 12' ' ' PRO . 49.8 m-85 -150.52 125.21 9.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.623 HD11 ' HB2' ' A' ' 11' ' ' ASN . 21.5 mt -122.48 143.58 34.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.3 t -80.09 132.86 36.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.8 m -75.43 -17.51 60.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.518 ' HG3' ' CG ' ' A' ' 35' ' ' HIS . 15.3 mm-40 -77.68 -67.76 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.9 p -99.5 -52.99 3.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.31 44.3 0.57 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.457 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.8 tttp -96.63 130.35 43.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.825 0.345 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.479 HG22 HG12 ' A' ' 14' ' ' ILE . 95.5 t -83.84 130.58 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -121.22 149.86 42.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.7 m -49.81 -62.97 1.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.146 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.542 ' H ' ' CD2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -127.13 161.09 29.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -50.77 -31.79 17.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.5 m -57.86 -41.31 82.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.47 ' OD1' ' CD2' ' A' ' 24' ' ' HIS . 3.2 m120 -71.16 -41.56 70.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.1 tp -62.5 -46.98 85.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.9 mt -56.33 -40.94 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 80.1 mt -63.68 -34.75 69.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.52 ' O ' ' N ' ' A' ' 33' ' ' LYS . 5.7 t60 -76.81 -58.49 3.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 31' ' ' HIS . 67.7 mt-30 -34.66 -31.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.52 ' N ' ' O ' ' A' ' 31' ' ' HIS . 1.6 mtpm? -47.32 -48.22 25.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.487 HG13 ' N ' ' A' ' 35' ' ' HIS . 8.1 pt -53.57 -26.41 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.518 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 90.5 m-70 -84.29 12.37 6.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.825 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 33' ' ' LYS . 14.8 t -160.25 130.26 5.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.161 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -41.16 -90.82 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.6 tp10 52.41 42.26 31.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.857 0.361 . . . . 0.0 110.896 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.407 ' NH1' ' HA ' ' A' ' 41' ' ' SER . 3.3 ppt_? -171.11 150.84 3.01 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.619 0.723 . . . . 0.0 110.85 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 87.6 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.674 2.25 . . . . 0.0 112.357 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 42' ' ' GLY . 70.4 m -46.23 -39.61 10.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 41' ' ' SER . . . -35.41 140.01 0.2 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.518 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -18.39 37.13 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.649 2.233 . . . . 0.0 112.366 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 t -68.75 77.36 0.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 t -59.77 100.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.869 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.143 -0.81 . . . . 0.0 112.499 179.968 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.0 p -152.17 128.99 10.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.876 0.37 . . . . 0.0 110.838 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.1 p -133.13 147.83 52.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.54 -140.98 4.01 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.512 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.0 m -130.77 112.25 12.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.884 0.373 . . . . 0.0 110.844 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.3 m -111.31 -48.88 3.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 8' ' ' THR . . . 82.66 43.04 7.99 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 7' ' ' GLY . 27.7 p 35.01 40.5 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.879 0.371 . . . . 0.0 111.144 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.56 -119.11 14.17 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -132.71 97.53 4.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.792 0.329 . . . . 0.0 110.881 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -67.88 150.15 97.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.577 0.703 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.571 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 53.4 Cg_endo -69.82 -54.48 0.21 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.672 2.248 . . . . 0.0 112.307 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.571 ' CG ' ' O ' ' A' ' 12' ' ' PRO . 35.5 m-85 -162.62 121.16 2.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 71.1 mt -125.17 140.59 47.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.3 t -69.4 122.36 18.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.5 m -84.18 35.46 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.851 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.487 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 6.5 mm-40 -133.17 -50.33 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.875 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.2 p -113.78 -46.72 3.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.39 40.23 0.55 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.504 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.7 tttp -103.8 124.9 49.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.788 0.328 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.8 p -94.05 139.09 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -125.62 137.24 53.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.9 m -61.7 -44.0 97.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -104.95 143.03 33.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.5 pttm -59.52 -42.03 91.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.2 m -56.9 -46.85 81.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.171 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -50.24 -49.7 52.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.2 tp -56.31 -57.3 12.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.9 mt -46.48 -44.42 6.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 42.2 mt -62.12 -35.12 67.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.461 ' O ' ' N ' ' A' ' 33' ' ' LYS . 35.9 t60 -73.63 -63.44 1.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 35' ' ' HIS . 16.1 mt-30 -40.66 -24.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 31' ' ' HIS . 13.6 mtpt -46.29 -32.21 2.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.491 HG13 ' N ' ' A' ' 35' ' ' HIS . 28.5 pt -71.91 -31.5 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.134 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.491 ' N ' HG13 ' A' ' 34' ' ' ILE . 75.2 m-70 -75.32 -38.53 60.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.407 HG22 ' HA ' ' A' ' 33' ' ' LYS . 10.2 t -83.18 -37.1 24.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -139.52 173.24 22.9 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.513 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 60.23 48.37 8.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.876 0.37 . . . . 0.0 110.898 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.449 ' H ' ' NE ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -125.49 152.37 71.56 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.601 0.715 . . . . 0.0 110.893 -179.927 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 118.01 5.43 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 93.1 p -48.56 104.98 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.97 -95.21 0.23 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -173.64 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.665 2.244 . . . . 0.0 112.301 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 45' ' ' SER . 3.2 t 51.48 42.21 29.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 44' ' ' SER . 50.3 p -35.14 124.56 0.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.097 -0.835 . . . . 0.0 112.473 -179.99 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.568 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.813 0.256 . . . . 0.0 112.322 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.568 ' CD1' ' O ' ' A' ' 12' ' ' PRO . 37.6 m-85 -161.71 154.7 20.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.0 mt -147.79 136.2 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.479 ' O ' ' N ' ' A' ' 19' ' ' GLY . 8.2 t -75.36 89.53 2.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.6 m -41.08 -27.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.475 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 72.7 mm-40 -64.23 -65.94 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.4 p -101.59 -43.42 5.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 111.17 45.12 0.88 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.518 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.502 ' HG2' ' CE1' ' A' ' 22' ' ' PHE . 15.1 tttp -103.52 128.66 50.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.807 0.337 . . . . 0.0 110.882 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.5 p -87.74 134.78 26.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.502 ' CE1' ' HG2' ' A' ' 20' ' ' LYS . 69.6 m-85 -123.32 147.91 46.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.4 m -69.42 -45.54 68.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -111.91 142.02 44.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -59.55 -25.95 64.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.437 ' CG2' ' N ' ' A' ' 27' ' ' ASN . 1.3 t -71.64 -40.11 69.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.437 ' N ' ' CG2' ' A' ' 26' ' ' THR . 19.7 t-20 -63.79 -37.04 85.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.451 HD22 ' HB3' ' A' ' 13' ' ' PHE . 12.6 tp -68.16 -51.06 50.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.958 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.2 mt -54.03 -42.67 55.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 24.1 mt -63.79 -32.69 57.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.433 ' O ' ' N ' ' A' ' 33' ' ' LYS . 3.2 t60 -72.51 -52.56 15.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -42.45 -23.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 31' ' ' HIS . 36.4 mmtt -48.97 -40.09 29.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 27.1 pt -60.27 -27.05 38.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.171 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.475 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 50.8 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.593 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.804 0.252 . . . . 0.0 112.36 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' A' ' 12' ' ' PRO . 5.2 m-85 -160.94 146.82 14.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 94.7 mt -135.2 131.04 51.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.16 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.534 ' HA ' HD11 ' A' ' 28' ' ' LEU . 27.4 t -58.48 128.42 37.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.7 t -84.89 28.73 0.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.604 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 7.6 mm-40 -129.38 -50.68 1.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.876 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.4 p -113.17 -50.47 2.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.54 44.37 0.47 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.45 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.45 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 36.4 tttp -104.75 140.9 37.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.821 0.343 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.0 t -92.3 139.6 17.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.45 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 25.5 m-85 -130.08 145.06 51.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.0 m -74.44 -44.16 53.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.161 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.416 ' HB3' ' CG ' ' A' ' 27' ' ' ASN . 7.4 t-80 -101.69 136.57 41.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.573 ' HD3' ' CE1' ' A' ' 13' ' ' PHE . 14.1 tptp -58.32 -44.81 88.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.449 ' HA ' HD12 ' A' ' 29' ' ' ILE . 33.2 m -60.68 -40.28 91.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.148 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.416 ' CG ' ' HB3' ' A' ' 24' ' ' HIS . 39.9 m-20 -58.78 -43.03 90.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.534 HD11 ' HA ' ' A' ' 15' ' ' CYS . 9.8 tp -62.86 -45.68 91.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.449 HD12 ' HA ' ' A' ' 26' ' ' THR . 27.9 mt -58.86 -48.11 87.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.166 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.485 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 63.0 mt -59.0 -36.79 63.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.631 ' O ' HG23 ' A' ' 34' ' ' ILE . 2.4 t60 -65.47 -44.95 85.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -48.57 -21.68 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.485 ' CG ' ' O ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -58.31 -12.08 3.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.631 HG23 ' O ' ' A' ' 31' ' ' HIS . 20.4 pt -81.81 -5.96 9.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.604 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 59.9 m-70 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.586 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 53.7 Cg_endo . . . . . 0 N--CA 1.466 -0.143 0 CA-C-O 120.868 0.278 . . . . 0.0 112.378 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 12' ' ' PRO . 29.0 m-85 -154.64 138.95 16.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 16.7 mm -126.61 142.57 42.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.47 ' O ' ' N ' ' A' ' 17' ' ' GLU . 8.6 t -93.28 82.49 4.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.2 t -40.32 -25.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 15' ' ' CYS . 1.7 mp0 -65.87 -64.3 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.435 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 28.4 p -100.5 -46.04 5.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 113.08 39.28 1.16 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.482 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.4 tttt -105.53 149.3 26.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.4 p -108.48 131.78 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.163 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -121.99 153.71 38.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.7 m -79.13 -42.54 26.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.194 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -117.48 125.52 51.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 28' ' ' LEU . 13.5 mtmm -40.25 -51.8 2.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.465 ' CG2' ' N ' ' A' ' 27' ' ' ASN . 1.3 t -37.81 -42.14 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.114 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.465 ' N ' ' CG2' ' A' ' 26' ' ' THR . 6.5 m120 -67.24 -39.23 86.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.89 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 25' ' ' LYS . 6.0 tp -73.42 -55.12 6.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 57.6 mt -49.79 -42.06 17.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.115 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.454 HD12 ' O ' ' A' ' 26' ' ' THR . 47.0 mt -74.47 -35.62 39.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -69.13 -29.2 67.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -63.19 -19.69 64.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.966 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -58.84 -19.22 39.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 pt -82.73 -4.09 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.435 ' CE1' ' HB3' ' A' ' 18' ' ' CYS . 75.9 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.588 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.777 0.24 . . . . 0.0 112.321 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.588 ' CD1' ' O ' ' A' ' 12' ' ' PRO . 7.0 m-85 -162.57 151.66 15.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.432 HG13 ' C ' ' A' ' 13' ' ' PHE . 58.5 mt -145.71 139.96 21.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.6 t -79.45 114.19 18.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 81.9 p -60.88 -23.52 65.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.588 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 11.4 mm-40 -69.75 -63.98 0.97 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.929 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.5 p -101.92 -54.26 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.45 41.19 0.69 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.455 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.7 tttt -99.41 133.48 43.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.808 0.337 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 57.7 t -83.65 135.25 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.495 ' CD1' HD13 ' A' ' 28' ' ' LEU . 56.7 m-85 -120.06 149.72 41.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.0 m -79.63 -36.91 37.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -114.98 118.13 32.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.857 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.505 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 16.8 pttm -42.0 -43.26 3.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.504 ' HA ' HD12 ' A' ' 29' ' ' ILE . 38.8 m -57.33 -48.61 78.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -52.24 -47.19 65.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.495 HD13 ' CD1' ' A' ' 22' ' ' PHE . 19.4 tp -58.81 -53.04 62.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' A' ' 26' ' ' THR . 29.0 mt -50.83 -42.21 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 76.4 mt -68.05 -32.41 56.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.503 ' O ' ' N ' ' A' ' 33' ' ' LYS . 2.1 t60 -70.33 -53.89 14.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -39.25 -25.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 31' ' ' HIS . 54.3 mttt -56.37 -45.99 80.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.441 HG13 ' N ' ' A' ' 35' ' ' HIS . 13.4 pt -46.06 -26.99 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.17 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.588 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 89.4 m-70 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.816 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.515 ' HB2' ' CD2' ' A' ' 13' ' ' PHE . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.862 0.276 . . . . 0.0 112.368 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.515 ' CD2' ' HB2' ' A' ' 12' ' ' PRO . 18.0 m-85 -154.16 159.01 41.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.683 HG12 HG22 ' A' ' 21' ' ' VAL . 90.2 mt -143.77 145.38 22.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 17' ' ' GLU . 8.3 t -84.78 87.85 7.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.2 m -39.99 -25.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 15' ' ' CYS . 1.5 mp0 -67.36 -69.76 0.29 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.7 p -93.37 -50.43 5.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.94 39.65 0.69 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.5 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -104.62 146.19 29.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.816 0.341 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.683 HG22 HG12 ' A' ' 14' ' ' ILE . 97.5 t -102.17 137.94 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.157 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.425 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 24.2 m-85 -127.12 137.57 53.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.0 m -68.55 -46.71 68.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -91.78 134.4 34.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -42.45 79.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 m -68.89 -31.89 71.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 43.3 m-20 -61.71 -33.75 74.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 tp -76.39 -47.28 23.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.9 mt -58.59 -44.39 89.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.36 -30.71 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.571 ' O ' HG23 ' A' ' 34' ' ' ILE . 2.4 t60 -79.24 -42.96 24.73 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -50.92 -21.15 1.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.952 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.9 mttp -56.96 -26.73 60.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.571 HG23 ' O ' ' A' ' 31' ' ' HIS . 16.6 pt -66.26 -6.44 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.141 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 179.87 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.418 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.206 0 CA-C-O 120.823 0.26 . . . . 0.0 112.285 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.504 ' CE1' ' HE2' ' A' ' 25' ' ' LYS . 87.2 m-85 -157.64 121.58 4.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.415 HG22 ' N ' ' A' ' 15' ' ' CYS . 73.7 mt -117.61 152.37 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 19' ' ' GLY . 33.7 t -90.29 88.84 7.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.6 t -43.71 -25.12 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -64.89 -52.85 54.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.1 p -114.38 -49.81 2.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 121.93 31.07 1.15 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.478 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -96.62 125.26 40.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.794 0.33 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.0 p -90.05 138.6 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.085 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -127.47 150.25 49.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.4 m -80.84 -39.95 25.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.118 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -100.09 127.13 46.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.504 ' HE2' ' CE1' ' A' ' 13' ' ' PHE . 15.5 ttmm -52.5 -34.24 48.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 m -72.57 -41.75 65.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.147 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -54.09 -41.02 67.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.6 tp -64.24 -48.71 74.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 93.4 mt -55.27 -46.62 78.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 51.0 mt -58.98 -33.01 48.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.51 ' O ' ' N ' ' A' ' 33' ' ' LYS . 4.8 t60 -74.47 -59.25 2.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 31' ' ' HIS . 92.0 mt-30 -36.09 -29.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.51 ' N ' ' O ' ' A' ' 31' ' ' HIS . 46.6 mttt -47.81 -47.82 30.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.452 HG13 ' N ' ' A' ' 35' ' ' HIS . 12.3 pt -44.94 -26.18 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.452 ' N ' HG13 ' A' ' 34' ' ' ILE . 55.5 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.829 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.537 ' HB2' ' CD1' ' A' ' 13' ' ' PHE . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.155 0 CA-C-O 120.837 0.266 . . . . 0.0 112.339 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.636 ' HB3' HD22 ' A' ' 28' ' ' LEU . 11.1 m-85 -160.95 131.81 5.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.516 HG12 HG22 ' A' ' 21' ' ' VAL . 83.7 mt -125.05 140.27 48.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.7 t -73.23 126.75 30.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.1 t -84.38 34.86 0.53 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.485 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 6.9 mm-40 -134.4 -53.79 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.1 p -108.7 -50.29 3.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.48 40.21 0.59 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.402 ' HD3' ' CZ ' ' A' ' 22' ' ' PHE . 16.3 tttp -98.22 154.82 17.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.797 0.332 . . . . 0.0 110.937 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.516 HG22 HG12 ' A' ' 14' ' ' ILE . 57.9 t -114.01 134.67 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.402 ' CZ ' ' HD3' ' A' ' 20' ' ' LYS . 92.6 m-85 -127.63 132.36 49.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.7 m -57.97 -46.85 84.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -96.57 145.22 25.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -65.98 -51.4 58.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.476 ' HA ' HD12 ' A' ' 29' ' ' ILE . 35.8 m -52.5 -48.74 65.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -49.52 -44.16 46.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.636 HD22 ' HB3' ' A' ' 13' ' ' PHE . 13.0 tp -61.88 -51.14 69.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.476 HD12 ' HA ' ' A' ' 26' ' ' THR . 50.5 mt -51.46 -41.13 25.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.406 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 55.2 mt -65.41 -39.88 86.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.087 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -66.94 -48.03 69.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -47.78 -20.39 0.29 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.406 ' CG ' ' O ' ' A' ' 30' ' ' ILE . 29.3 mmtm -54.46 -32.24 57.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 23.5 pt -62.94 -10.17 5.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.081 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.485 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 78.9 m-70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.838 0.266 . . . . 0.0 112.329 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.502 ' O ' HG13 ' A' ' 21' ' ' VAL . 95.0 m-85 -154.97 152.63 29.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.856 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.918 HG12 HG22 ' A' ' 21' ' ' VAL . 84.5 mt -145.96 136.17 18.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.6 t -65.19 126.98 29.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.5 m -84.04 22.01 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.539 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 47.0 mm-40 -122.52 -53.02 1.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.9 p -108.62 -52.96 2.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.31 39.99 0.46 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.524 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.7 tttt -102.02 138.1 39.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.81 0.338 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.918 HG22 HG12 ' A' ' 14' ' ' ILE . 90.8 t -96.77 136.29 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -122.35 169.65 10.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.6 m -80.41 -55.65 4.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.51 ' CE1' ' HB2' ' A' ' 27' ' ' ASN . 1.5 p80 -119.17 138.84 52.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.4 pttt -42.51 -55.04 3.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.3 m -37.94 -51.69 1.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.51 ' HB2' ' CE1' ' A' ' 24' ' ' HIS . 0.2 OUTLIER -59.04 -48.04 83.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.8 tp -58.57 -52.8 64.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.6 mt -49.24 -41.42 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 94.2 mt -64.21 -39.35 85.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.45 ' CD2' ' C ' ' A' ' 31' ' ' HIS . 1.3 t60 -71.11 -46.35 61.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -48.43 -20.63 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.5 mttm -55.73 -30.69 61.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.427 HG23 ' O ' ' A' ' 31' ' ' HIS . 20.4 pt -63.25 -7.22 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.072 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.539 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 85.7 m-70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.496 ' HB2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.198 0 CA-C-O 120.834 0.264 . . . . 0.0 112.338 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.571 ' HB3' HD22 ' A' ' 28' ' ' LEU . 16.1 m-85 -158.56 145.17 17.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.793 HG12 HG22 ' A' ' 21' ' ' VAL . 97.5 mt -137.22 145.78 29.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.141 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.6 t -78.84 124.06 27.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.9 t -83.17 37.37 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.506 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 6.3 mm-40 -134.81 -49.71 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.3 p -114.55 -50.84 2.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.04 43.52 0.36 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -104.8 149.73 25.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.793 HG22 HG12 ' A' ' 14' ' ' ILE . 91.0 t -111.39 142.17 24.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -130.75 152.36 50.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.4 m -77.1 -39.1 50.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.125 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -116.44 127.91 55.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.482 ' HE3' HD11 ' A' ' 29' ' ' ILE . 29.2 tttp -48.74 -40.5 28.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.445 ' CG2' ' N ' ' A' ' 27' ' ' ASN . 1.6 t -50.13 -41.57 49.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.445 ' N ' ' CG2' ' A' ' 26' ' ' THR . 2.7 m120 -69.01 -39.6 79.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.571 HD22 ' HB3' ' A' ' 13' ' ' PHE . 6.1 tp -64.52 -43.34 94.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.482 HD11 ' HE3' ' A' ' 25' ' ' LYS . 74.3 mt -61.89 -38.79 81.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.49 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 28.0 mt -73.06 -36.03 49.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.41 ' C ' ' N ' ' A' ' 33' ' ' LYS . 4.4 t60 -64.52 -50.63 66.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -44.7 -21.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.961 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 30' ' ' ILE . 26.7 mmtt -52.54 -36.71 56.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 23.5 pt -57.36 -11.51 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.506 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 68.4 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.577 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.133 0 CA-C-O 120.848 0.27 . . . . 0.0 112.369 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.632 ' O ' HG23 ' A' ' 21' ' ' VAL . 7.9 m-85 -162.44 139.34 7.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.3 mt -129.25 136.92 58.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.164 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.407 ' SG ' ' CD ' ' A' ' 17' ' ' GLU . 8.5 t -64.4 127.65 32.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.1 t -84.73 18.01 2.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.407 ' CD ' ' SG ' ' A' ' 15' ' ' CYS . 2.2 mp0 -114.67 -62.25 1.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.2 p -101.9 -50.42 3.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.36 42.65 0.38 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.493 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.3 tttp -107.51 128.68 54.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.821 0.343 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 13' ' ' PHE . 11.7 p -91.42 145.37 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -130.76 143.12 50.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 m -83.19 15.1 3.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -156.89 125.67 5.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.463 ' HG2' ' N ' ' A' ' 26' ' ' THR . 0.0 OUTLIER -52.51 -33.78 46.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.463 ' N ' ' HG2' ' A' ' 25' ' ' LYS . 3.1 m -69.63 -46.73 65.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -57.12 -39.35 74.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.9 tp -64.26 -52.08 60.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 74.2 mt -55.29 -48.49 76.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.065 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 79.7 mt -57.98 -33.4 46.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.458 ' O ' ' N ' ' A' ' 33' ' ' LYS . 3.8 t60 -70.05 -53.16 18.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -40.94 -24.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' HIS . 14.1 mmtm -51.17 -44.45 61.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.5 pt -50.74 -21.84 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.86 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.547 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.826 0.261 . . . . 0.0 112.381 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.547 ' CG ' ' O ' ' A' ' 12' ' ' PRO . 97.7 m-85 -162.7 157.44 21.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 18.4 mm -148.02 141.35 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.103 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.454 ' SG ' ' CD ' ' A' ' 17' ' ' GLU . 43.1 t -78.24 127.78 32.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.408 ' C ' ' OE1' ' A' ' 17' ' ' GLU . 8.6 t -84.05 22.93 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.476 ' HG2' ' CB ' ' A' ' 35' ' ' HIS . 1.8 mp0 -118.45 -54.9 2.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.86 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.5 p -113.09 -51.42 2.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.44 39.49 0.37 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.489 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.577 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -91.49 150.91 21.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.814 0.34 . . . . 0.0 110.93 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.5 p -113.26 136.99 47.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.067 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.577 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 84.7 m-85 -132.11 139.52 48.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.6 m -77.23 -37.44 53.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.162 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 25' ' ' LYS . 7.3 t-80 -111.21 114.32 27.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 24' ' ' HIS . 49.0 tttm -34.26 -46.49 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.4 m -49.57 -48.56 48.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.101 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 24' ' ' HIS . 0.1 OUTLIER -56.59 -45.99 81.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.85 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.504 HD22 ' HB3' ' A' ' 13' ' ' PHE . 12.1 tp -58.31 -46.74 85.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.7 mt -56.96 -42.53 79.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.411 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 85.8 mt -60.39 -45.61 96.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.432 ' CD2' ' C ' ' A' ' 31' ' ' HIS . 1.2 t60 -63.83 -43.35 96.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.41 HE21 HD11 ' A' ' 28' ' ' LEU . 83.9 mt-30 -49.52 -19.7 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.411 ' CG ' ' O ' ' A' ' 30' ' ' ILE . 28.0 mmtt -56.73 -29.04 62.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.7 pt -72.09 -9.82 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.151 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.476 ' CB ' ' HG2' ' A' ' 17' ' ' GLU . 83.6 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.551 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.862 0.276 . . . . 0.0 112.357 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.847 ' HB3' HD22 ' A' ' 28' ' ' LEU . 88.7 m-85 -162.17 127.27 3.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.427 HG12 HG22 ' A' ' 21' ' ' VAL . 94.2 mt -126.57 115.62 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.103 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.9 t -49.14 123.2 6.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.3 m -84.39 28.89 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -130.83 -37.64 1.31 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -124.2 -47.43 1.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.15 45.66 0.68 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.573 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 12.9 ttmt -103.46 142.69 33.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.892 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.427 HG22 HG12 ' A' ' 14' ' ' ILE . 26.1 t -102.29 127.04 56.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.493 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 1.8 m-85 -118.4 150.86 38.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 98.1 m -75.72 -48.97 19.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.14 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.568 ' CE1' ' HB2' ' A' ' 27' ' ' ASN . 2.9 p80 -113.7 121.59 44.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 24' ' ' HIS . 27.3 ttmt -32.82 -56.76 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 25' ' ' LYS . 23.8 m -34.14 -52.21 0.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.178 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.568 ' HB2' ' CE1' ' A' ' 24' ' ' HIS . 2.4 t-20 -55.17 -47.51 75.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.847 HD22 ' HB3' ' A' ' 13' ' ' PHE . 13.5 tp -59.18 -47.56 84.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.4 mt -56.77 -46.02 83.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 64.7 mt -67.76 -35.12 71.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.113 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.573 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 2.1 t60 -68.72 -47.49 66.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -49.51 -19.35 0.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -57.9 -30.05 65.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.459 HG23 ' O ' ' A' ' 31' ' ' HIS . 20.9 pt -62.47 -7.35 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.074 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 58.6 m-70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 179.88 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.54 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.148 0 CA-C-O 120.83 0.263 . . . . 0.0 112.326 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.54 ' CG ' ' O ' ' A' ' 12' ' ' PRO . 45.5 m-85 -161.43 143.94 12.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.817 HG12 HG22 ' A' ' 21' ' ' VAL . 70.3 mt -130.54 147.81 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.084 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.4 t -89.67 91.4 8.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.8 t -47.61 -20.0 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.826 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.488 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 8.0 mt-10 -70.62 -58.32 3.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.4 p -106.96 -50.04 3.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.86 19.59 2.21 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -82.34 156.14 24.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.85 0.357 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.817 HG22 HG12 ' A' ' 14' ' ' ILE . 98.8 t -117.8 133.71 63.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.083 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -123.67 142.19 51.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.1 m -69.37 -45.71 68.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -101.49 131.54 47.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -51.65 -45.59 63.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.1 m -56.43 -43.2 79.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -55.56 -41.24 73.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.5 tp -64.4 -56.17 16.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 44.6 mt -47.3 -48.01 9.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.099 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 65.4 mt -60.32 -32.0 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.503 ' O ' ' N ' ' A' ' 33' ' ' LYS . 7.2 t60 -73.56 -59.22 2.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 31' ' ' HIS . 92.6 mt-30 -36.03 -30.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 31' ' ' HIS . 19.7 mttm -47.25 -48.47 24.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.472 HG13 ' N ' ' A' ' 35' ' ' HIS . 11.2 pt -46.19 -27.03 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.097 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.488 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 65.5 m-70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.536 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.838 0.266 . . . . 0.0 112.358 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.536 ' CG ' ' O ' ' A' ' 12' ' ' PRO . 30.0 m-85 -161.44 147.66 14.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.471 ' CD1' HG22 ' A' ' 21' ' ' VAL . 27.9 mm -132.16 151.77 35.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.401 ' N ' HG22 ' A' ' 14' ' ' ILE . 12.1 t -92.31 121.15 33.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.1 t -81.9 34.91 0.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.456 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 12.1 mt-10 -135.0 -45.5 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -122.25 -47.41 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.8 43.37 0.68 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.53 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 3.4 ttmm -100.53 145.22 28.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.793 0.33 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.471 HG22 ' CD1' ' A' ' 14' ' ' ILE . 60.7 t -99.3 128.42 51.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.53 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 79.9 m-85 -123.05 143.28 50.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.9 m -70.55 -44.22 67.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.188 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -103.38 141.2 36.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.3 tttp -61.99 -42.85 99.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.727 ' HA ' HD12 ' A' ' 29' ' ' ILE . 30.9 m -59.86 -41.52 91.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -56.85 -43.2 80.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.485 HD11 HE21 ' A' ' 32' ' ' GLN . 10.5 tp -64.02 -40.75 97.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.727 HD12 ' HA ' ' A' ' 26' ' ' THR . 18.1 mt -62.2 -42.21 94.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 79.8 mt -68.06 -33.66 62.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.5 ' O ' ' N ' ' A' ' 33' ' ' LYS . 6.7 t60 -66.98 -59.9 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.832 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.485 HE21 HD11 ' A' ' 28' ' ' LEU . 41.1 mt-30 -34.78 -31.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 31' ' ' HIS . 24.0 mttm -48.3 -48.95 35.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.469 HG13 ' N ' ' A' ' 35' ' ' HIS . 9.2 pt -44.82 -26.18 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.469 ' N ' HG13 ' A' ' 34' ' ' ILE . 45.2 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.232 0.185 0 CA-C-O 120.834 0.264 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.75 ' O ' HG23 ' A' ' 21' ' ' VAL . 93.5 m-85 -147.99 145.14 28.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 36.6 mm -134.78 145.3 32.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.126 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.9 t -83.48 122.84 29.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.2 m -84.59 27.98 0.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.52 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 9.0 mm-40 -126.3 -46.36 1.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.8 p -116.83 -48.94 2.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.21 41.81 0.53 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt -108.22 151.9 25.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 13' ' ' PHE . 12.5 p -110.93 141.66 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.165 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -130.93 143.42 50.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.0 m -69.85 -45.95 66.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.169 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -96.29 141.94 29.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -60.23 -45.68 92.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.623 ' HA ' HD12 ' A' ' 29' ' ' ILE . 92.2 m -61.77 -42.09 98.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 -50.25 -39.6 45.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.6 tp -72.25 -46.37 56.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.958 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.623 HD12 ' HA ' ' A' ' 26' ' ' THR . 38.5 mt -54.69 -46.54 73.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 81.0 mt -64.08 -31.0 51.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.154 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.597 ' O ' HG23 ' A' ' 34' ' ' ILE . 7.1 t60 -75.78 -43.16 47.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.839 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -51.34 -21.38 2.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.8 mttm -56.56 -23.05 37.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.597 HG23 ' O ' ' A' ' 31' ' ' HIS . 18.1 pt -69.65 -9.74 12.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.577 ' CE1' HD11 ' A' ' 34' ' ' ILE . 32.5 m-70 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.414 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.175 0 CA-C-O 120.777 0.24 . . . . 0.0 112.349 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.548 ' CE1' ' CE ' ' A' ' 25' ' ' LYS . 69.0 m-85 -156.26 120.94 4.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.466 ' CD1' ' HB ' ' A' ' 21' ' ' VAL . 48.5 mm -118.24 152.34 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 17' ' ' GLU . 8.0 t -90.75 90.07 7.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.7 m -40.04 -27.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.557 ' HG2' ' CD2' ' A' ' 35' ' ' HIS . 1.5 mp0 -64.16 -69.07 0.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.2 p -100.36 -50.24 3.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.828 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.17 42.31 0.48 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.8 ttmt -100.17 132.95 45.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.838 0.352 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.466 ' HB ' ' CD1' ' A' ' 14' ' ' ILE . 9.5 p -93.67 133.26 35.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -122.05 132.38 54.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.0 p -63.52 -18.41 63.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.161 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.532 ' CE1' ' HB2' ' A' ' 27' ' ' ASN . 0.9 OUTLIER -141.75 114.77 8.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.548 ' CE ' ' CE1' ' A' ' 13' ' ' PHE . 17.1 ttmt -34.32 -47.05 0.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 25' ' ' LYS . 95.2 m -35.69 -58.55 0.61 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.197 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.532 ' HB2' ' CE1' ' A' ' 24' ' ' HIS . 8.7 t-20 -54.93 -46.29 74.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.667 HD11 HE21 ' A' ' 32' ' ' GLN . 13.8 tp -56.29 -45.31 80.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 66.9 mt -62.81 -36.88 77.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.07 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.8 mt -76.44 -33.16 22.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.514 ' O ' ' N ' ' A' ' 33' ' ' LYS . 9.4 t60 -70.76 -59.55 2.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.667 HE21 HD11 ' A' ' 28' ' ' LEU . 83.4 mt-30 -34.96 -31.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.514 ' N ' ' O ' ' A' ' 31' ' ' HIS . 26.7 mttp -47.84 -48.77 30.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.47 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -44.69 -25.15 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.187 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.557 ' CD2' ' HG2' ' A' ' 17' ' ' GLU . 59.0 m-70 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.149 0 CA-C-O 120.789 0.245 . . . . 0.0 112.295 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.542 ' CZ ' ' HB3' ' A' ' 25' ' ' LYS . 75.5 m-85 -115.6 143.59 45.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.84 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 15' ' ' CYS . 23.0 mm -137.78 154.76 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.171 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.438 ' N ' HG22 ' A' ' 14' ' ' ILE . 8.6 t -99.82 117.65 34.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.8 t -72.14 -0.84 12.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.814 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.585 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 69.4 mm-40 -92.66 -48.06 6.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.7 p -118.86 -51.67 2.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.37 34.05 0.98 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.511 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.403 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 10.4 ttmm -86.99 166.06 15.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.438 HG22 ' CD1' ' A' ' 14' ' ' ILE . 14.1 t -118.29 124.2 72.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.174 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.411 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 68.1 m-85 -119.49 133.73 55.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.2 m -67.63 -41.67 83.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -113.07 122.18 46.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.542 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 13.6 ptmt -41.96 -43.17 3.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.432 ' CG2' ' N ' ' A' ' 27' ' ' ASN . 1.4 t -48.31 -40.66 25.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.432 ' N ' ' CG2' ' A' ' 26' ' ' THR . 37.2 t-20 -68.02 -32.28 72.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.854 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.8 tp -74.53 -49.11 23.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 60.3 mt -57.64 -44.44 85.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 67.8 mt -70.02 -31.18 46.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.423 ' O ' HG23 ' A' ' 34' ' ' ILE . 4.1 t60 -71.53 -51.44 23.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -42.76 -23.8 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 31' ' ' HIS . 41.9 mttt -57.41 -44.91 84.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.423 HG23 ' O ' ' A' ' 31' ' ' HIS . 15.2 pt -47.22 -21.21 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.165 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.585 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 70.0 m-70 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.836 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.547 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 54.1 Cg_endo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.849 0.271 . . . . 0.0 112.326 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.549 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 67.7 m-85 -161.83 132.39 4.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.722 HG12 HG22 ' A' ' 21' ' ' VAL . 97.6 mt -132.73 127.6 56.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.116 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.8 t -57.7 124.28 18.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.1 t -84.22 32.65 0.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.42 ' OE2' ' CB ' ' A' ' 35' ' ' HIS . 11.7 mt-10 -133.45 -44.36 0.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.6 p -117.42 -49.95 2.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.75 44.55 0.5 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.499 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.5 tttp -105.47 138.25 41.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.806 0.336 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.722 HG22 HG12 ' A' ' 14' ' ' ILE . 77.9 t -96.8 135.19 31.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.177 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -124.21 137.21 54.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.1 p -57.88 -53.47 57.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 25' ' ' LYS . 1.3 p80 -121.42 129.52 53.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.815 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.599 ' HD2' HD23 ' A' ' 28' ' ' LEU . 13.2 tptm -34.84 -54.05 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 25' ' ' LYS . 24.8 m -33.88 -50.1 0.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.408 ' HB2' ' CE1' ' A' ' 24' ' ' HIS . 2.4 t-20 -63.01 -44.23 96.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.599 HD23 ' HD2' ' A' ' 25' ' ' LYS . 6.6 tp -61.87 -48.14 81.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 51.0 mt -55.21 -38.43 47.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.145 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.1 mt -70.13 -32.94 52.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.473 ' O ' ' N ' ' A' ' 33' ' ' LYS . 12.1 t60 -73.3 -60.19 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -40.04 -25.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 31' ' ' HIS . 28.8 mttm -51.49 -44.3 62.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.472 HG13 ' N ' ' A' ' 35' ' ' HIS . 19.8 pt -52.38 -31.16 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.105 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.472 ' N ' HG13 ' A' ' 34' ' ' ILE . 50.9 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.424 ' HB2' ' CD2' ' A' ' 13' ' ' PHE . 54.2 Cg_endo . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.829 0.262 . . . . 0.0 112.394 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.424 ' CD2' ' HB2' ' A' ' 12' ' ' PRO . 49.8 m-85 -150.52 125.21 9.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.479 HG12 HG22 ' A' ' 21' ' ' VAL . 21.5 mt -122.48 143.58 34.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.3 t -80.09 132.86 36.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.8 m -75.43 -17.51 60.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.518 ' HG3' ' CG ' ' A' ' 35' ' ' HIS . 15.3 mm-40 -77.68 -67.76 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.9 p -99.5 -52.99 3.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.31 44.3 0.57 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.457 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.8 tttp -96.63 130.35 43.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.825 0.345 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.479 HG22 HG12 ' A' ' 14' ' ' ILE . 95.5 t -83.84 130.58 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -121.22 149.86 42.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.7 m -49.81 -62.97 1.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.146 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.542 ' CD2' ' H ' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -127.13 161.09 29.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -50.77 -31.79 17.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.5 m -57.86 -41.31 82.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.47 ' OD1' ' CD2' ' A' ' 24' ' ' HIS . 3.2 m120 -71.16 -41.56 70.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.1 tp -62.5 -46.98 85.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.9 mt -56.33 -40.94 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 80.1 mt -63.68 -34.75 69.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.52 ' O ' ' N ' ' A' ' 33' ' ' LYS . 5.7 t60 -76.81 -58.49 3.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 31' ' ' HIS . 67.7 mt-30 -34.66 -31.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.52 ' N ' ' O ' ' A' ' 31' ' ' HIS . 1.6 mtpm? -47.32 -48.22 25.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.487 HG13 ' N ' ' A' ' 35' ' ' HIS . 8.1 pt -53.57 -26.41 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.518 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 90.5 m-70 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.825 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.571 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.193 0 CA-C-O 120.811 0.255 . . . . 0.0 112.307 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.571 ' CG ' ' O ' ' A' ' 12' ' ' PRO . 35.5 m-85 -162.62 121.16 2.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 71.1 mt -125.17 140.59 47.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.3 t -69.4 122.36 18.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.5 m -84.18 35.46 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.851 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.487 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 6.5 mm-40 -133.17 -50.33 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.875 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.2 p -113.78 -46.72 3.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.39 40.23 0.55 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.504 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.7 tttp -103.8 124.9 49.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.788 0.328 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.8 p -94.05 139.09 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -125.62 137.24 53.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.9 m -61.7 -44.0 97.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -104.95 143.03 33.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.5 pttm -59.52 -42.03 91.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.2 m -56.9 -46.85 81.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.171 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -50.24 -49.7 52.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.497 HD11 ' NE2' ' A' ' 32' ' ' GLN . 18.2 tp -56.31 -57.3 12.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.9 mt -46.48 -44.42 6.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 42.2 mt -62.12 -35.12 67.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.461 ' O ' ' N ' ' A' ' 33' ' ' LYS . 35.9 t60 -73.63 -63.44 1.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.497 ' NE2' HD11 ' A' ' 28' ' ' LEU . 87.5 mt-30 -40.66 -24.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 31' ' ' HIS . 13.6 mtpt -46.29 -32.21 2.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.491 HG13 ' N ' ' A' ' 35' ' ' HIS . 28.5 pt -71.91 -31.5 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.134 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.491 ' N ' HG13 ' A' ' 34' ' ' ILE . 75.2 m-70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.551 -0.22 . . . . 0.0 112.551 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.1 p -144.17 121.72 11.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.896 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.1 t -53.84 -44.42 70.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.6 43.49 76.25 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.515 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -104.56 174.7 5.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.854 0.359 . . . . 0.0 110.862 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.0 t -152.11 163.06 40.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.07 67.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.3 m -133.95 89.98 2.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.817 0.341 . . . . 0.0 111.131 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 158.99 86.91 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.42 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.422 ' C ' ' OE1' ' A' ' 10' ' ' GLU . 0.7 OUTLIER -39.31 149.29 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.806 0.336 . . . . 0.0 110.92 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -129.76 144.05 51.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.668 0.747 . . . . 0.0 110.829 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.568 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.81 -49.18 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.678 2.252 . . . . 0.0 112.322 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.568 ' CD1' ' O ' ' A' ' 12' ' ' PRO . 37.6 m-85 -161.71 154.7 20.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.0 mt -147.79 136.2 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.479 ' O ' ' N ' ' A' ' 19' ' ' GLY . 8.2 t -75.36 89.53 2.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.6 m -41.08 -27.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.475 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 72.7 mm-40 -64.23 -65.94 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.4 p -101.59 -43.42 5.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 111.17 45.12 0.88 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.518 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.502 ' HG2' ' CE1' ' A' ' 22' ' ' PHE . 15.1 tttp -103.52 128.66 50.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.807 0.337 . . . . 0.0 110.882 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.5 p -87.74 134.78 26.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.502 ' CE1' ' HG2' ' A' ' 20' ' ' LYS . 69.6 m-85 -123.32 147.91 46.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.4 m -69.42 -45.54 68.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -111.91 142.02 44.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -59.55 -25.95 64.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.437 ' CG2' ' N ' ' A' ' 27' ' ' ASN . 1.3 t -71.64 -40.11 69.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.437 ' N ' ' CG2' ' A' ' 26' ' ' THR . 19.7 t-20 -63.79 -37.04 85.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.451 HD22 ' HB3' ' A' ' 13' ' ' PHE . 12.6 tp -68.16 -51.06 50.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.958 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.2 mt -54.03 -42.67 55.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 24.1 mt -63.79 -32.69 57.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.433 ' O ' ' N ' ' A' ' 33' ' ' LYS . 3.2 t60 -72.51 -52.56 15.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -42.45 -23.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 31' ' ' HIS . 36.4 mmtt -48.97 -40.09 29.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 27.1 pt -60.27 -27.05 38.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.171 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.475 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 50.8 m-70 -78.79 -34.88 45.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.91 80.31 2.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -175.63 51.31 0.12 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.496 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.8 142.09 51.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.85 0.357 . . . . 0.0 110.864 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -86.87 143.91 36.06 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.602 0.715 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 165.01 32.43 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.644 2.229 . . . . 0.0 112.3 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.4 m -41.72 -59.09 1.76 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 162.12 -157.77 29.65 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.461 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.9 Cg_endo -69.79 -14.64 36.28 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.703 2.269 . . . . 0.0 112.328 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 43' ' ' PRO . 40.1 m -37.89 101.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.824 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.6 p -134.1 -36.72 0.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.824 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.503 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -72.63 81.36 1.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 110.833 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.4 p -89.71 86.99 6.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.56 42.37 2.23 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.527 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 t -72.56 81.16 1.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 0.0 110.861 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -154.58 156.99 37.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.66 44.84 3.16 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.1 m -63.86 -28.56 69.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.866 0.365 . . . . 0.0 111.162 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.81 -30.53 63.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.498 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 59.85 45.52 12.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.804 0.335 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.421 ' ND2' HG13 ' A' ' 14' ' ' ILE . 1.8 p-10 -106.2 143.86 27.8 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.642 0.734 . . . . 0.0 110.916 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.593 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.76 -50.55 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.669 2.246 . . . . 0.0 112.36 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' A' ' 12' ' ' PRO . 5.2 m-85 -160.94 146.82 14.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.421 HG13 ' ND2' ' A' ' 11' ' ' ASN . 94.7 mt -135.2 131.04 51.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.16 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.534 ' HA ' HD11 ' A' ' 28' ' ' LEU . 27.4 t -58.48 128.42 37.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.7 t -84.89 28.73 0.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.604 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 7.6 mm-40 -129.38 -50.68 1.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.876 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.4 p -113.17 -50.47 2.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.54 44.37 0.47 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.45 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.45 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 36.4 tttp -104.75 140.9 37.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.821 0.343 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.0 t -92.3 139.6 17.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.45 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 25.5 m-85 -130.08 145.06 51.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.0 m -74.44 -44.16 53.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.161 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.416 ' HB3' ' CG ' ' A' ' 27' ' ' ASN . 7.4 t-80 -101.69 136.57 41.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.573 ' HD3' ' CE1' ' A' ' 13' ' ' PHE . 14.1 tptp -58.32 -44.81 88.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.449 ' HA ' HD12 ' A' ' 29' ' ' ILE . 33.2 m -60.68 -40.28 91.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.148 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.416 ' CG ' ' HB3' ' A' ' 24' ' ' HIS . 39.9 m-20 -58.78 -43.03 90.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.534 HD11 ' HA ' ' A' ' 15' ' ' CYS . 9.8 tp -62.86 -45.68 91.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.449 HD12 ' HA ' ' A' ' 26' ' ' THR . 27.9 mt -58.86 -48.11 87.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.166 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.485 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 63.0 mt -59.0 -36.79 63.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.631 ' O ' HG23 ' A' ' 34' ' ' ILE . 2.4 t60 -65.47 -44.95 85.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -48.57 -21.68 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.485 ' CG ' ' O ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -58.31 -12.08 3.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.631 HG23 ' O ' ' A' ' 31' ' ' HIS . 20.4 pt -81.81 -5.96 9.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.604 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 59.9 m-70 -116.3 -30.73 5.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.7 p -87.04 144.72 26.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 161.66 -64.89 0.26 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.519 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -69.28 153.04 44.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 110.86 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -143.64 136.15 13.46 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.625 0.726 . . . . 0.0 110.847 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -49.5 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.694 2.263 . . . . 0.0 112.323 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 93.7 p -174.89 133.09 0.33 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -114.84 168.15 12.49 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.505 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -7.17 20.4 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.621 2.214 . . . . 0.0 112.328 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.2 t -42.01 -43.77 3.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 64.9 m -133.61 172.93 12.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.813 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.108 -0.829 . . . . 0.0 112.512 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.0 p -99.1 83.39 2.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.923 0.392 . . . . 0.0 110.832 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.5 p -122.82 83.32 2.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.98 -64.39 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.537 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.6 t -47.62 137.63 8.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.912 0.387 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.2 t -142.72 161.57 37.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.07 50.16 0.45 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.2 t -92.75 -20.67 20.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.342 . . . . 0.0 111.16 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 41.57 -138.31 2.18 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -131.29 103.2 6.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.832 0.348 . . . . 0.0 110.851 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -152.59 156.4 33.25 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.638 0.732 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.586 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.76 -49.25 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.689 2.26 . . . . 0.0 112.378 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 12' ' ' PRO . 29.0 m-85 -154.64 138.95 16.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 16.7 mm -126.61 142.57 42.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.47 ' O ' ' N ' ' A' ' 17' ' ' GLU . 8.6 t -93.28 82.49 4.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.2 t -40.32 -25.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 15' ' ' CYS . 1.7 mp0 -65.87 -64.3 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.435 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 28.4 p -100.5 -46.04 5.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 113.08 39.28 1.16 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.482 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.4 tttt -105.53 149.3 26.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.4 p -108.48 131.78 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.163 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -121.99 153.71 38.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.7 m -79.13 -42.54 26.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.194 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -117.48 125.52 51.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 28' ' ' LEU . 13.5 mtmm -40.25 -51.8 2.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.465 ' CG2' ' N ' ' A' ' 27' ' ' ASN . 1.3 t -37.81 -42.14 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.114 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.465 ' N ' ' CG2' ' A' ' 26' ' ' THR . 6.5 m120 -67.24 -39.23 86.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.89 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 25' ' ' LYS . 6.0 tp -73.42 -55.12 6.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 57.6 mt -49.79 -42.06 17.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.115 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.454 HD12 ' O ' ' A' ' 26' ' ' THR . 47.0 mt -74.47 -35.62 39.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -69.13 -29.2 67.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -63.19 -19.69 64.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.966 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -58.84 -19.22 39.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 pt -82.73 -4.09 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.435 ' CE1' ' HB3' ' A' ' 18' ' ' CYS . 75.9 m-70 -113.03 -10.08 13.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.8 p -81.86 -40.56 22.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.95 91.32 1.42 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.491 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -73.23 140.83 47.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.829 0.347 . . . . 0.0 110.876 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.8 ptt180 -62.26 145.87 93.39 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.589 0.709 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 179.59 3.64 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.649 2.232 . . . . 0.0 112.298 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.9 m -43.18 165.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -85.94 -104.46 0.73 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.525 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -48.62 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.668 2.245 . . . . 0.0 112.374 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.0 p -170.69 133.64 1.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.2 m -126.93 -50.19 1.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 CA-C-O 119.071 -0.85 . . . . 0.0 112.486 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -154.3 130.18 10.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.869 0.366 . . . . 0.0 110.838 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -52.45 -61.06 2.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.61 136.95 3.07 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.503 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.1 p -122.12 112.07 17.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 110.839 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.9 p -157.72 131.51 7.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.829 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.42 166.93 17.72 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.484 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.9 m -61.16 127.69 32.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.822 0.344 . . . . 0.0 111.159 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.54 -45.36 67.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 74.13 40.05 0.46 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.834 0.349 . . . . 0.0 110.909 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -154.82 143.39 14.64 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.612 0.72 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.588 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.74 -50.79 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.687 2.258 . . . . 0.0 112.321 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.588 ' CD1' ' O ' ' A' ' 12' ' ' PRO . 7.0 m-85 -162.57 151.66 15.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.432 HG13 ' C ' ' A' ' 13' ' ' PHE . 58.5 mt -145.71 139.96 21.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.6 t -79.45 114.19 18.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 81.9 p -60.88 -23.52 65.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.588 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 11.4 mm-40 -69.75 -63.98 0.97 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.929 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.5 p -101.92 -54.26 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.45 41.19 0.69 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.455 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.7 tttt -99.41 133.48 43.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.808 0.337 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 57.7 t -83.65 135.25 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.495 ' CD1' HD13 ' A' ' 28' ' ' LEU . 56.7 m-85 -120.06 149.72 41.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.0 m -79.63 -36.91 37.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -114.98 118.13 32.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.857 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.505 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 16.8 pttm -42.0 -43.26 3.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.504 ' HA ' HD12 ' A' ' 29' ' ' ILE . 38.8 m -57.33 -48.61 78.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -52.24 -47.19 65.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.495 HD13 ' CD1' ' A' ' 22' ' ' PHE . 19.4 tp -58.81 -53.04 62.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' A' ' 26' ' ' THR . 29.0 mt -50.83 -42.21 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 76.4 mt -68.05 -32.41 56.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.503 ' O ' ' N ' ' A' ' 33' ' ' LYS . 2.1 t60 -70.33 -53.89 14.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -39.25 -25.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 31' ' ' HIS . 54.3 mttt -56.37 -45.99 80.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.441 HG13 ' N ' ' A' ' 35' ' ' HIS . 13.4 pt -46.06 -26.99 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.17 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.588 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 89.4 m-70 -78.38 -37.78 43.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.816 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.456 HG22 ' HA ' ' A' ' 33' ' ' LYS . 13.0 t -99.78 143.49 29.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.136 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 173.12 -84.44 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.461 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -71.5 156.34 39.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.847 0.356 . . . . 0.0 110.912 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.436 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 11.4 mmt180 54.92 54.95 10.72 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.634 0.731 . . . . 0.0 110.854 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.436 ' CD ' ' N ' ' A' ' 39' ' ' ARG . 53.6 Cg_endo -69.73 -170.42 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.728 2.286 . . . . 0.0 112.321 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.0 t -136.03 118.31 15.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 115.23 -161.34 12.83 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.475 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -177.13 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.691 2.261 . . . . 0.0 112.328 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.7 t -143.65 111.57 6.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.817 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.7 m -70.66 -48.87 52.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.188 -0.784 . . . . 0.0 112.503 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.3 m -107.49 140.23 40.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.878 0.37 . . . . 0.0 110.865 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.7 t -97.45 151.15 20.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.52 -84.46 0.37 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.498 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.7 m -77.34 85.21 3.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.836 0.351 . . . . 0.0 110.87 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 m -153.04 112.0 3.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.44 45.69 1.43 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.533 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.533 ' O ' HG22 ' A' ' 8' ' ' THR . 18.0 m 56.71 41.33 28.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.784 0.326 . . . . 0.0 111.152 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.31 -177.28 16.62 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.486 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -118.45 155.64 30.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 110.838 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.13 152.4 91.58 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.636 0.732 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.515 ' HB2' ' CD2' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.77 -48.86 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.679 2.253 . . . . 0.0 112.368 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.515 ' CD2' ' HB2' ' A' ' 12' ' ' PRO . 18.0 m-85 -154.16 159.01 41.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.683 HG12 HG22 ' A' ' 21' ' ' VAL . 90.2 mt -143.77 145.38 22.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 17' ' ' GLU . 8.3 t -84.78 87.85 7.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.2 m -39.99 -25.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 15' ' ' CYS . 1.5 mp0 -67.36 -69.76 0.29 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.7 p -93.37 -50.43 5.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.94 39.65 0.69 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.5 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -104.62 146.19 29.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.816 0.341 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.683 HG22 HG12 ' A' ' 14' ' ' ILE . 97.5 t -102.17 137.94 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.157 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.425 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 24.2 m-85 -127.12 137.57 53.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.0 m -68.55 -46.71 68.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -91.78 134.4 34.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -42.45 79.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 m -68.89 -31.89 71.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 43.3 m-20 -61.71 -33.75 74.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 tp -76.39 -47.28 23.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.9 mt -58.59 -44.39 89.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.36 -30.71 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.571 ' O ' HG23 ' A' ' 34' ' ' ILE . 2.4 t60 -79.24 -42.96 24.73 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -50.92 -21.15 1.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.952 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.9 mttp -56.96 -26.73 60.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.571 HG23 ' O ' ' A' ' 31' ' ' HIS . 16.6 pt -66.26 -6.44 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.141 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -116.04 -23.36 8.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 56.0 p -80.37 83.12 6.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.94 160.4 14.79 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -120.76 87.7 2.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.472 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 12.9 ttp180 -153.07 140.58 13.29 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.6 0.714 . . . . 0.0 110.854 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 39' ' ' ARG . 54.1 Cg_endo -69.74 -2.46 10.19 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.649 2.233 . . . . 0.0 112.409 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.0 t 57.03 47.07 18.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -118.57 -158.92 10.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.509 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 44' ' ' SER . 54.0 Cg_endo -69.73 165.9 29.37 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.703 2.269 . . . . 0.0 112.371 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 43' ' ' PRO . 58.5 p -37.53 142.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.841 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.1 t -116.24 165.34 13.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.506 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.0 m -86.4 174.09 9.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.847 0.356 . . . . 0.0 110.871 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.2 p -102.77 -46.24 4.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.86 40.36 0.77 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.475 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -115.48 -52.62 2.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.872 0.367 . . . . 0.0 110.842 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -70.71 169.92 13.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.1 -162.04 8.97 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.455 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 66.6 p -78.01 102.56 7.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.812 0.339 . . . . 0.0 111.17 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.34 106.89 0.64 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.453 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -134.03 90.59 2.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.84 0.353 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.42 ' HB2' HD11 ' A' ' 14' ' ' ILE . 45.3 m-80 -142.17 155.49 64.99 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.577 0.704 . . . . 0.0 110.937 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.418 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.81 -50.61 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.692 2.262 . . . . 0.0 112.285 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.504 ' CE1' ' HE2' ' A' ' 25' ' ' LYS . 87.2 m-85 -157.64 121.58 4.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.42 HD11 ' HB2' ' A' ' 11' ' ' ASN . 73.7 mt -117.61 152.37 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 19' ' ' GLY . 33.7 t -90.29 88.84 7.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.6 t -43.71 -25.12 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -64.89 -52.85 54.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.1 p -114.38 -49.81 2.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 121.93 31.07 1.15 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.478 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -96.62 125.26 40.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.794 0.33 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.0 p -90.05 138.6 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.085 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -127.47 150.25 49.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.4 m -80.84 -39.95 25.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.118 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -100.09 127.13 46.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.504 ' HE2' ' CE1' ' A' ' 13' ' ' PHE . 15.5 ttmm -52.5 -34.24 48.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 m -72.57 -41.75 65.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.147 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -54.09 -41.02 67.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.6 tp -64.24 -48.71 74.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 93.4 mt -55.27 -46.62 78.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 51.0 mt -58.98 -33.01 48.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.51 ' O ' ' N ' ' A' ' 33' ' ' LYS . 4.8 t60 -74.47 -59.25 2.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 31' ' ' HIS . 92.0 mt-30 -36.09 -29.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.929 ' O ' HG22 ' A' ' 36' ' ' THR . 46.6 mttt -47.81 -47.82 30.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.452 HG13 ' N ' ' A' ' 35' ' ' HIS . 12.3 pt -44.94 -26.18 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.452 ' N ' HG13 ' A' ' 34' ' ' ILE . 55.5 m-70 -76.63 -38.83 54.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.829 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.929 HG22 ' O ' ' A' ' 33' ' ' LYS . 11.3 t -38.24 154.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 155.39 -106.24 0.29 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.477 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -108.43 143.0 37.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.859 0.361 . . . . 0.0 110.867 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.52 147.13 8.34 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.586 0.708 . . . . 0.0 110.906 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -16.2 37.27 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.692 2.261 . . . . 0.0 112.369 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.6 p 42.57 41.7 2.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.34 134.51 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.532 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -36.12 11.28 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.694 2.263 . . . . 0.0 112.303 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 79.2 p -76.05 68.56 2.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.863 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.7 m -139.42 105.24 5.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.086 -0.841 . . . . 0.0 112.476 -179.948 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.9 t -62.38 98.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.923 0.392 . . . . 0.0 110.85 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -130.66 145.33 51.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.89 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.96 81.95 0.16 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.442 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.8 t -108.37 172.03 7.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.902 0.382 . . . . 0.0 110.867 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.8 t 64.48 41.87 5.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.13 -157.67 28.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.486 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.42 HG23 ' N ' ' A' ' 9' ' ' GLY . 9.7 t -81.63 -41.45 21.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.818 0.342 . . . . 0.0 111.126 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.42 ' N ' HG23 ' A' ' 8' ' ' THR . . . 57.3 -162.26 8.07 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.45 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -90.52 78.68 6.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.886 0.374 . . . . 0.0 110.881 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -155.93 130.44 4.98 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.575 0.703 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.537 ' HB2' ' CD1' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.77 -50.84 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.643 2.229 . . . . 0.0 112.339 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.636 ' HB3' HD22 ' A' ' 28' ' ' LEU . 11.1 m-85 -160.95 131.81 5.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.516 HG12 HG22 ' A' ' 21' ' ' VAL . 83.7 mt -125.05 140.27 48.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.7 t -73.23 126.75 30.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.1 t -84.38 34.86 0.53 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.485 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 6.9 mm-40 -134.4 -53.79 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.1 p -108.7 -50.29 3.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.48 40.21 0.59 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.402 ' HD3' ' CZ ' ' A' ' 22' ' ' PHE . 16.3 tttp -98.22 154.82 17.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.797 0.332 . . . . 0.0 110.937 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.516 HG22 HG12 ' A' ' 14' ' ' ILE . 57.9 t -114.01 134.67 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.402 ' CZ ' ' HD3' ' A' ' 20' ' ' LYS . 92.6 m-85 -127.63 132.36 49.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.7 m -57.97 -46.85 84.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -96.57 145.22 25.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -65.98 -51.4 58.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.476 ' HA ' HD12 ' A' ' 29' ' ' ILE . 35.8 m -52.5 -48.74 65.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -49.52 -44.16 46.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.636 HD22 ' HB3' ' A' ' 13' ' ' PHE . 13.0 tp -61.88 -51.14 69.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.476 HD12 ' HA ' ' A' ' 26' ' ' THR . 50.5 mt -51.46 -41.13 25.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.406 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 55.2 mt -65.41 -39.88 86.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.087 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -66.94 -48.03 69.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -47.78 -20.39 0.29 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.406 ' CG ' ' O ' ' A' ' 30' ' ' ILE . 29.3 mmtm -54.46 -32.24 57.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 23.5 pt -62.94 -10.17 5.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.081 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.485 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 78.9 m-70 -112.93 -32.79 6.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 53.2 p -48.86 108.87 0.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.58 155.32 49.99 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -127.97 41.31 3.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.1 ptt-85 -123.56 152.3 64.9 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.619 0.723 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -49.6 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.694 2.263 . . . . 0.0 112.326 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.2 m -94.22 46.97 1.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -94.49 179.2 37.28 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.528 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 84.28 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.698 2.265 . . . . 0.0 112.326 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.2 t -110.39 139.41 45.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.6 t -75.08 100.04 4.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.498 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.1 p 44.56 42.27 5.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.884 0.373 . . . . 0.0 110.853 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.3 t -156.12 138.42 14.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.16 98.73 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.521 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -85.59 165.38 17.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.824 0.345 . . . . 0.0 110.886 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.7 m -121.1 163.23 18.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.23 91.72 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.426 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.3 p -117.91 106.71 13.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.839 0.352 . . . . 0.0 111.152 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 69.13 76.02 0.5 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.488 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.4 mp0 -63.82 121.04 13.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.903 0.382 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -81.96 142.66 48.57 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.653 0.739 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -50.91 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.669 2.246 . . . . 0.0 112.329 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.502 ' O ' HG13 ' A' ' 21' ' ' VAL . 95.0 m-85 -154.97 152.63 29.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.856 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.918 HG12 HG22 ' A' ' 21' ' ' VAL . 84.5 mt -145.96 136.17 18.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.6 t -65.19 126.98 29.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.5 m -84.04 22.01 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.539 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 47.0 mm-40 -122.52 -53.02 1.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.9 p -108.62 -52.96 2.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.31 39.99 0.46 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.524 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.7 tttt -102.02 138.1 39.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.81 0.338 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.918 HG22 HG12 ' A' ' 14' ' ' ILE . 90.8 t -96.77 136.29 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -122.35 169.65 10.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.6 m -80.41 -55.65 4.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.51 ' CE1' ' HB2' ' A' ' 27' ' ' ASN . 1.5 p80 -119.17 138.84 52.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.4 pttt -42.51 -55.04 3.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.3 m -37.94 -51.69 1.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.51 ' HB2' ' CE1' ' A' ' 24' ' ' HIS . 0.2 OUTLIER -59.04 -48.04 83.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.8 tp -58.57 -52.8 64.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.6 mt -49.24 -41.42 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 94.2 mt -64.21 -39.35 85.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.45 ' CD2' ' C ' ' A' ' 31' ' ' HIS . 1.3 t60 -71.11 -46.35 61.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -48.43 -20.63 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.5 mttm -55.73 -30.69 61.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.427 HG23 ' O ' ' A' ' 31' ' ' HIS . 20.4 pt -63.25 -7.22 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.072 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.539 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 85.7 m-70 -112.13 -34.09 6.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 74.6 p -66.69 -43.93 83.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -43.83 -50.43 7.29 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -91.87 85.69 5.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.854 0.359 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -122.32 68.97 30.03 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.666 0.746 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -39.22 6.84 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.666 2.244 . . . . 0.0 112.36 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.7 t -128.67 96.03 4.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.52 174.41 50.49 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.451 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 99.78 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.322 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.8 m -83.86 164.34 19.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.9 t -101.79 136.64 41.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.48 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.9 m -60.16 114.66 2.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.831 0.348 . . . . 0.0 110.859 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 t -77.44 145.8 36.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.831 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -42.29 118.12 1.56 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.44 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.3 m -110.69 106.21 15.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 110.854 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.0 m -119.97 164.87 15.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.826 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.23 104.77 0.22 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.549 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 45.9 p -120.19 152.86 37.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.82 0.343 . . . . 0.0 111.146 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -103.92 52.55 0.75 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.468 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 9' ' ' GLY . 9.1 tp10 34.37 44.52 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 0.0 110.852 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -48.13 144.59 5.8 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.593 0.711 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.496 ' HB2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.74 -50.83 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.698 2.265 . . . . 0.0 112.338 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.571 ' HB3' HD22 ' A' ' 28' ' ' LEU . 16.1 m-85 -158.56 145.17 17.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.793 HG12 HG22 ' A' ' 21' ' ' VAL . 97.5 mt -137.22 145.78 29.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.141 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.6 t -78.84 124.06 27.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.9 t -83.17 37.37 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.506 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 6.3 mm-40 -134.81 -49.71 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.3 p -114.55 -50.84 2.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.04 43.52 0.36 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -104.8 149.73 25.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.793 HG22 HG12 ' A' ' 14' ' ' ILE . 91.0 t -111.39 142.17 24.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -130.75 152.36 50.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.4 m -77.1 -39.1 50.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.125 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -116.44 127.91 55.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.482 ' HE3' HD11 ' A' ' 29' ' ' ILE . 29.2 tttp -48.74 -40.5 28.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.445 ' CG2' ' N ' ' A' ' 27' ' ' ASN . 1.6 t -50.13 -41.57 49.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.445 ' N ' ' CG2' ' A' ' 26' ' ' THR . 2.7 m120 -69.01 -39.6 79.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.571 HD22 ' HB3' ' A' ' 13' ' ' PHE . 6.1 tp -64.52 -43.34 94.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.482 HD11 ' HE3' ' A' ' 25' ' ' LYS . 74.3 mt -61.89 -38.79 81.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.49 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 28.0 mt -73.06 -36.03 49.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.41 ' C ' ' N ' ' A' ' 33' ' ' LYS . 4.4 t60 -64.52 -50.63 66.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -44.7 -21.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.961 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 30' ' ' ILE . 26.7 mmtt -52.54 -36.71 56.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 23.5 pt -57.36 -11.51 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.506 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 68.4 m-70 -108.39 -27.47 9.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.402 HG23 ' HA ' ' A' ' 33' ' ' LYS . 37.9 p -60.16 -48.88 79.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.095 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 172.74 160.7 21.83 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.472 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -115.52 -59.38 2.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.829 0.347 . . . . 0.0 110.85 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -49.53 152.37 2.39 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.599 0.714 . . . . 0.0 110.849 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 122.51 9.19 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.682 2.255 . . . . 0.0 112.346 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.6 t -40.99 133.04 2.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -160.95 -90.28 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -44.62 1.99 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.692 2.261 . . . . 0.0 112.378 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.9 p 42.88 43.86 3.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.1 m 41.83 41.92 2.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.477 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t -75.26 165.42 25.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 110.906 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.1 p -122.69 140.92 52.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.16 -164.49 47.95 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -123.95 -51.14 1.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.902 0.382 . . . . 0.0 110.9 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.1 t -77.01 -60.47 2.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.76 -151.07 22.85 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.47 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.4 t -111.84 141.01 46.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.861 0.362 . . . . 0.0 111.149 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.16 86.09 0.75 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.458 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -104.08 118.57 36.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 110.922 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -50.31 153.84 2.37 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.624 0.726 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.577 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.67 -50.79 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.695 2.263 . . . . 0.0 112.369 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.632 ' O ' HG23 ' A' ' 21' ' ' VAL . 7.9 m-85 -162.44 139.34 7.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.3 mt -129.25 136.92 58.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.164 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.407 ' SG ' ' CD ' ' A' ' 17' ' ' GLU . 8.5 t -64.4 127.65 32.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.1 t -84.73 18.01 2.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.407 ' CD ' ' SG ' ' A' ' 15' ' ' CYS . 2.2 mp0 -114.67 -62.25 1.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.2 p -101.9 -50.42 3.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.36 42.65 0.38 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.493 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.3 tttp -107.51 128.68 54.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.821 0.343 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 13' ' ' PHE . 11.7 p -91.42 145.37 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -130.76 143.12 50.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 m -83.19 15.1 3.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -156.89 125.67 5.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.463 ' HG2' ' N ' ' A' ' 26' ' ' THR . 0.0 OUTLIER -52.51 -33.78 46.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.463 ' N ' ' HG2' ' A' ' 25' ' ' LYS . 3.1 m -69.63 -46.73 65.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -57.12 -39.35 74.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.9 tp -64.26 -52.08 60.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 74.2 mt -55.29 -48.49 76.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.065 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 79.7 mt -57.98 -33.4 46.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.458 ' O ' ' N ' ' A' ' 33' ' ' LYS . 3.8 t60 -70.05 -53.16 18.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -40.94 -24.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' HIS . 14.1 mmtm -51.17 -44.45 61.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.5 pt -50.74 -21.84 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -88.92 19.67 3.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.3 t -167.56 132.17 1.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -119.77 -137.21 5.42 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.494 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -122.84 92.95 3.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.839 0.352 . . . . 0.0 110.902 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.412 ' NH1' ' HB2' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -112.12 81.14 3.58 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.606 0.717 . . . . 0.0 110.877 -179.91 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 106.49 1.66 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.664 2.243 . . . . 0.0 112.331 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.2 m -51.07 117.17 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 53.06 -158.26 4.11 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.456 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 89.92 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.704 2.269 . . . . 0.0 112.334 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.2 t -86.41 -60.57 1.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.853 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.2 t -158.64 171.81 19.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.48 -179.946 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.2 t -61.96 156.36 21.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.372 . . . . 0.0 110.881 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.2 m -127.17 171.69 11.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.817 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.69 -124.27 0.13 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.1 p -156.42 152.87 28.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.825 0.345 . . . . 0.0 110.88 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.7 p -115.96 167.74 10.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 8' ' ' THR . . . 139.85 -141.07 11.25 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.5 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 7' ' ' GLY . 8.9 t 34.01 48.87 0.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 111.155 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.88 179.42 29.35 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -111.63 91.05 3.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.827 0.346 . . . . 0.0 110.885 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.473 ' ND2' ' H ' ' A' ' 13' ' ' PHE . 0.6 OUTLIER -103.49 139.91 20.56 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.637 0.732 . . . . 0.0 110.89 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.547 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 54.2 Cg_endo -69.74 -50.94 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.69 2.26 . . . . 0.0 112.381 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.547 ' CG ' ' O ' ' A' ' 12' ' ' PRO . 97.7 m-85 -162.7 157.44 21.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 18.4 mm -148.02 141.35 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.103 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.454 ' SG ' ' CD ' ' A' ' 17' ' ' GLU . 43.1 t -78.24 127.78 32.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.408 ' C ' ' OE1' ' A' ' 17' ' ' GLU . 8.6 t -84.05 22.93 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.476 ' HG2' ' CB ' ' A' ' 35' ' ' HIS . 1.8 mp0 -118.45 -54.9 2.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.86 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.5 p -113.09 -51.42 2.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.44 39.49 0.37 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.489 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.577 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -91.49 150.91 21.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.814 0.34 . . . . 0.0 110.93 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.5 p -113.26 136.99 47.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.067 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.577 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 84.7 m-85 -132.11 139.52 48.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.6 m -77.23 -37.44 53.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.162 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 25' ' ' LYS . 7.3 t-80 -111.21 114.32 27.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 24' ' ' HIS . 49.0 tttm -34.26 -46.49 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.4 m -49.57 -48.56 48.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.101 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 24' ' ' HIS . 0.1 OUTLIER -56.59 -45.99 81.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.85 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.504 HD22 ' HB3' ' A' ' 13' ' ' PHE . 12.1 tp -58.31 -46.74 85.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.7 mt -56.96 -42.53 79.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.411 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 85.8 mt -60.39 -45.61 96.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.432 ' CD2' ' C ' ' A' ' 31' ' ' HIS . 1.2 t60 -63.83 -43.35 96.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.41 HE21 HD11 ' A' ' 28' ' ' LEU . 83.9 mt-30 -49.52 -19.7 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.411 ' CG ' ' O ' ' A' ' 30' ' ' ILE . 28.0 mmtt -56.73 -29.04 62.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.7 pt -72.09 -9.82 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.151 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.476 ' CB ' ' HG2' ' A' ' 17' ' ' GLU . 83.6 m-70 -115.65 19.17 15.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.5 p -128.34 38.44 3.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 58.82 78.95 0.11 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.518 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -124.9 -56.01 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.832 0.348 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.2 mtp85 -64.62 143.82 98.68 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.612 0.72 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 85.43 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.261 . . . . 0.0 112.352 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.3 t -110.49 -54.73 2.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -163.18 -153.08 7.09 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.486 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 132.87 24.22 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.645 2.23 . . . . 0.0 112.382 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.0 t -119.39 144.32 46.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.869 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.6 m -68.96 172.81 6.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.085 -0.842 . . . . 0.0 112.515 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -91.64 158.54 16.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 110.891 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t -49.2 -58.34 5.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.36 151.62 5.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.496 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.3 m -112.19 116.6 30.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.883 0.373 . . . . 0.0 110.846 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 t -137.22 152.58 50.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 8' ' ' THR . . . -140.94 -43.69 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.502 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 7' ' ' GLY . 26.4 p -36.31 113.23 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.838 0.352 . . . . 0.0 111.164 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.99 -65.32 0.46 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.453 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -81.38 -55.36 4.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.92 0.39 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -79.75 140.55 54.87 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.593 0.711 . . . . 0.0 110.923 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.551 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.71 -51.14 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.669 2.246 . . . . 0.0 112.357 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.847 ' HB3' HD22 ' A' ' 28' ' ' LEU . 88.7 m-85 -162.17 127.27 3.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.427 HG12 HG22 ' A' ' 21' ' ' VAL . 94.2 mt -126.57 115.62 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.103 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.9 t -49.14 123.2 6.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.3 m -84.39 28.89 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -130.83 -37.64 1.31 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -124.2 -47.43 1.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.15 45.66 0.68 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.573 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 12.9 ttmt -103.46 142.69 33.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.892 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.427 HG22 HG12 ' A' ' 14' ' ' ILE . 26.1 t -102.29 127.04 56.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.493 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 1.8 m-85 -118.4 150.86 38.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 98.1 m -75.72 -48.97 19.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.14 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.568 ' CE1' ' HB2' ' A' ' 27' ' ' ASN . 2.9 p80 -113.7 121.59 44.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 24' ' ' HIS . 27.3 ttmt -32.82 -56.76 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 25' ' ' LYS . 23.8 m -34.14 -52.21 0.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.178 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.568 ' HB2' ' CE1' ' A' ' 24' ' ' HIS . 2.4 t-20 -55.17 -47.51 75.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.847 HD22 ' HB3' ' A' ' 13' ' ' PHE . 13.5 tp -59.18 -47.56 84.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.4 mt -56.77 -46.02 83.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 64.7 mt -67.76 -35.12 71.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.113 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.573 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 2.1 t60 -68.72 -47.49 66.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -49.51 -19.35 0.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -57.9 -30.05 65.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.459 HG23 ' O ' ' A' ' 31' ' ' HIS . 20.9 pt -62.47 -7.35 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.074 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 58.6 m-70 -112.62 16.04 19.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.4 p -128.52 112.4 14.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -170.05 -172.36 36.46 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.511 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -114.43 174.9 5.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.872 0.367 . . . . 0.0 110.866 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.439 ' HD2' ' N ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -147.38 141.13 15.48 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.601 0.715 . . . . 0.0 110.865 -179.92 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -175.99 1.35 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.645 2.23 . . . . 0.0 112.346 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 76.9 p -105.74 37.07 2.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.826 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -121.81 158.62 16.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 99.24 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.68 2.253 . . . . 0.0 112.298 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 45' ' ' SER . 63.7 m -81.1 46.12 0.89 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 44' ' ' SER . 8.0 t 35.6 41.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.162 -0.799 . . . . 0.0 112.497 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.1 p -149.28 145.07 26.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 110.854 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -108.74 127.72 54.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.59 91.65 0.55 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.521 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.2 t -162.67 131.8 4.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 110.898 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.3 t -109.29 -56.05 2.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.92 -94.28 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.487 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.1 m -65.68 100.47 0.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.83 0.347 . . . . 0.0 111.119 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -139.57 52.13 0.72 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -102.78 45.09 0.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.836 0.351 . . . . 0.0 110.871 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.57 132.02 94.15 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.62 0.724 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.54 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.81 -50.8 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.702 2.268 . . . . 0.0 112.326 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.54 ' CG ' ' O ' ' A' ' 12' ' ' PRO . 45.5 m-85 -161.43 143.94 12.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.817 HG12 HG22 ' A' ' 21' ' ' VAL . 70.3 mt -130.54 147.81 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.084 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.4 t -89.67 91.4 8.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.8 t -47.61 -20.0 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.826 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.488 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 8.0 mt-10 -70.62 -58.32 3.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.4 p -106.96 -50.04 3.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.86 19.59 2.21 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -82.34 156.14 24.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.85 0.357 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.817 HG22 HG12 ' A' ' 14' ' ' ILE . 98.8 t -117.8 133.71 63.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.083 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -123.67 142.19 51.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.1 m -69.37 -45.71 68.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -101.49 131.54 47.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -51.65 -45.59 63.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.1 m -56.43 -43.2 79.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -55.56 -41.24 73.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.5 tp -64.4 -56.17 16.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 44.6 mt -47.3 -48.01 9.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.099 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 65.4 mt -60.32 -32.0 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.503 ' O ' ' N ' ' A' ' 33' ' ' LYS . 7.2 t60 -73.56 -59.22 2.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 31' ' ' HIS . 92.6 mt-30 -36.03 -30.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 31' ' ' HIS . 19.7 mttm -47.25 -48.47 24.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.472 HG13 ' N ' ' A' ' 35' ' ' HIS . 11.2 pt -46.19 -27.03 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.097 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.488 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 65.5 m-70 -79.02 -37.64 38.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.442 HG22 ' O ' ' A' ' 33' ' ' LYS . 2.3 t -84.64 -9.87 57.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.24 51.22 28.56 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.435 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -87.13 124.3 33.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.4 144.71 31.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.604 0.716 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 103.03 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.687 2.258 . . . . 0.0 112.365 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.7 p -95.7 108.37 20.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.842 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.69 -158.77 39.51 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 170.0 17.55 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.711 2.274 . . . . 0.0 112.318 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.9 t -100.61 106.89 18.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 77.7 p -72.36 117.3 13.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.247 0 CA-C-O 119.145 -0.809 . . . . 0.0 112.453 -179.962 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.6 m 57.75 42.19 23.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.859 0.361 . . . . 0.0 110.861 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.0 m -83.95 157.45 21.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 138.42 -122.69 2.45 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.441 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 4' ' ' GLY . 94.5 p 34.68 42.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.914 0.387 . . . . 0.0 110.852 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.3 t -133.43 144.38 49.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.83 -71.64 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.512 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.1 t -53.22 158.2 1.66 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.778 0.323 . . . . 0.0 111.17 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.74 -63.0 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -76.39 137.14 39.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.341 . . . . 0.0 110.896 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -148.58 147.0 23.7 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.678 0.751 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.536 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.74 -51.14 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.713 2.275 . . . . 0.0 112.358 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.536 ' CG ' ' O ' ' A' ' 12' ' ' PRO . 30.0 m-85 -161.44 147.66 14.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.471 ' CD1' HG22 ' A' ' 21' ' ' VAL . 27.9 mm -132.16 151.77 35.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.401 ' N ' HG22 ' A' ' 14' ' ' ILE . 12.1 t -92.31 121.15 33.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.1 t -81.9 34.91 0.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.456 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 12.1 mt-10 -135.0 -45.5 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -122.25 -47.41 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.8 43.37 0.68 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.53 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 3.4 ttmm -100.53 145.22 28.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.793 0.33 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.471 HG22 ' CD1' ' A' ' 14' ' ' ILE . 60.7 t -99.3 128.42 51.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.53 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 79.9 m-85 -123.05 143.28 50.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.9 m -70.55 -44.22 67.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.188 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -103.38 141.2 36.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.3 tttp -61.99 -42.85 99.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.727 ' HA ' HD12 ' A' ' 29' ' ' ILE . 30.9 m -59.86 -41.52 91.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -56.85 -43.2 80.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.485 HD11 HE21 ' A' ' 32' ' ' GLN . 10.5 tp -64.02 -40.75 97.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.727 HD12 ' HA ' ' A' ' 26' ' ' THR . 18.1 mt -62.2 -42.21 94.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 79.8 mt -68.06 -33.66 62.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.5 ' O ' ' N ' ' A' ' 33' ' ' LYS . 6.7 t60 -66.98 -59.9 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.832 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.485 HE21 HD11 ' A' ' 28' ' ' LEU . 41.1 mt-30 -34.78 -31.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 31' ' ' HIS . 24.0 mttm -48.3 -48.95 35.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.469 HG13 ' N ' ' A' ' 35' ' ' HIS . 9.2 pt -44.82 -26.18 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.469 ' N ' HG13 ' A' ' 34' ' ' ILE . 45.2 m-70 -77.14 -38.42 51.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 36' ' ' THR . 4.6 t -111.09 114.95 28.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.167 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.19 54.33 1.03 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.524 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -116.85 144.2 44.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 0.0 110.876 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.434 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 17.6 tpp85 41.04 54.62 7.49 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.602 0.715 . . . . 0.0 110.891 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.434 ' CD ' ' N ' ' A' ' 39' ' ' ARG . 53.7 Cg_endo -69.78 178.81 4.21 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.654 2.236 . . . . 0.0 112.382 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.9 m -116.47 115.44 25.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.815 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -120.38 -174.86 15.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 5.25 1.78 Allowed 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.733 2.289 . . . . 0.0 112.363 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -61.75 154.46 25.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 91.6 p -82.42 -48.42 11.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.874 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.487 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 1' ' ' GLY . 95.9 p 36.43 42.03 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 0.0 110.841 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 t -148.38 116.1 6.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.77 179.86 42.31 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.505 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -112.98 81.66 1.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.86 0.362 . . . . 0.0 110.835 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.0 p -173.28 167.61 4.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.11 -63.59 0.18 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.442 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.4 t -173.95 139.12 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 111.196 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.61 63.35 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.466 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -114.88 36.25 3.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.828 0.347 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -160.76 139.53 7.59 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.634 0.73 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -51.17 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.725 2.283 . . . . 0.0 112.346 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.75 ' O ' HG23 ' A' ' 21' ' ' VAL . 93.5 m-85 -147.99 145.14 28.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 36.6 mm -134.78 145.3 32.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.126 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.9 t -83.48 122.84 29.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.2 m -84.59 27.98 0.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.52 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 9.0 mm-40 -126.3 -46.36 1.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.8 p -116.83 -48.94 2.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.21 41.81 0.53 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt -108.22 151.9 25.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 13' ' ' PHE . 12.5 p -110.93 141.66 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.165 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -130.93 143.42 50.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.0 m -69.85 -45.95 66.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.169 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -96.29 141.94 29.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -60.23 -45.68 92.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.623 ' HA ' HD12 ' A' ' 29' ' ' ILE . 92.2 m -61.77 -42.09 98.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 -50.25 -39.6 45.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.6 tp -72.25 -46.37 56.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.958 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.623 HD12 ' HA ' ' A' ' 26' ' ' THR . 38.5 mt -54.69 -46.54 73.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 81.0 mt -64.08 -31.0 51.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.154 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.597 ' O ' HG23 ' A' ' 34' ' ' ILE . 7.1 t60 -75.78 -43.16 47.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.839 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -51.34 -21.38 2.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.8 mttm -56.56 -23.05 37.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.597 HG23 ' O ' ' A' ' 31' ' ' HIS . 18.1 pt -69.65 -9.74 12.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.577 ' CE1' HD11 ' A' ' 34' ' ' ILE . 32.5 m-70 -115.37 19.66 15.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 45.6 p -116.87 36.66 4.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -98.4 -62.86 0.87 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.51 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.5 mp0 -44.21 145.14 0.83 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.808 0.337 . . . . 0.0 110.885 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.5 ttp180 -171.26 127.62 0.66 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.613 0.721 . . . . 0.0 110.841 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 138.41 37.85 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.663 2.242 . . . . 0.0 112.379 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.1 t -123.12 50.19 1.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -92.04 -161.86 37.05 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -11.25 30.5 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.666 2.244 . . . . 0.0 112.341 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.5 m -89.96 119.89 30.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.814 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 91.4 p -42.4 129.31 3.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.177 -0.791 . . . . 0.0 112.475 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -106.93 -48.61 3.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.904 0.383 . . . . 0.0 110.836 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.9 p -146.05 163.8 34.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.893 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.42 77.5 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.548 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.3 p -148.5 134.73 19.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.854 0.359 . . . . 0.0 110.874 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 t -70.31 161.36 30.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.85 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.63 63.9 0.4 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.444 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.3 t -146.07 151.0 37.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 111.123 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 164.35 165.99 22.51 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.504 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -78.94 93.58 5.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.841 0.353 . . . . 0.0 110.907 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -125.68 151.73 71.13 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.637 0.732 . . . . 0.0 110.87 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.414 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.8 -50.79 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.659 2.24 . . . . 0.0 112.349 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.548 ' CE1' ' CE ' ' A' ' 25' ' ' LYS . 69.0 m-85 -156.26 120.94 4.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.466 ' CD1' ' HB ' ' A' ' 21' ' ' VAL . 48.5 mm -118.24 152.34 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 17' ' ' GLU . 8.0 t -90.75 90.07 7.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.7 m -40.04 -27.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.557 ' HG2' ' CD2' ' A' ' 35' ' ' HIS . 1.5 mp0 -64.16 -69.07 0.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.2 p -100.36 -50.24 3.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.828 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.17 42.31 0.48 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.8 ttmt -100.17 132.95 45.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.838 0.352 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.466 ' HB ' ' CD1' ' A' ' 14' ' ' ILE . 9.5 p -93.67 133.26 35.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -122.05 132.38 54.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.0 p -63.52 -18.41 63.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.161 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.532 ' CE1' ' HB2' ' A' ' 27' ' ' ASN . 0.9 OUTLIER -141.75 114.77 8.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.548 ' CE ' ' CE1' ' A' ' 13' ' ' PHE . 17.1 ttmt -34.32 -47.05 0.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 25' ' ' LYS . 95.2 m -35.69 -58.55 0.61 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.197 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.532 ' HB2' ' CE1' ' A' ' 24' ' ' HIS . 8.7 t-20 -54.93 -46.29 74.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.667 HD11 HE21 ' A' ' 32' ' ' GLN . 13.8 tp -56.29 -45.31 80.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 66.9 mt -62.81 -36.88 77.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.07 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.8 mt -76.44 -33.16 22.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.514 ' O ' ' N ' ' A' ' 33' ' ' LYS . 9.4 t60 -70.76 -59.55 2.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.667 HE21 HD11 ' A' ' 28' ' ' LEU . 83.4 mt-30 -34.96 -31.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.514 ' N ' ' O ' ' A' ' 31' ' ' HIS . 26.7 mttp -47.84 -48.77 30.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.47 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -44.69 -25.15 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.187 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.557 ' CD2' ' HG2' ' A' ' 17' ' ' GLU . 59.0 m-70 -81.48 -35.82 30.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 33' ' ' LYS . 2.1 t -92.1 -2.07 56.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.94 51.49 0.86 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.46 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -89.71 113.28 24.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.904 0.383 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.6 mtt-85 -130.42 122.68 20.03 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.639 0.733 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -29.78 23.21 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.666 2.244 . . . . 0.0 112.365 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.3 p 48.2 36.6 6.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.69 -95.34 0.12 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.478 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 130.48 19.47 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.711 2.274 . . . . 0.0 112.314 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.4 t -103.23 167.11 10.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.0 t 49.76 41.96 22.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.475 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -142.58 154.81 44.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.835 0.35 . . . . 0.0 110.857 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.7 t -93.62 100.02 12.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.46 159.58 0.11 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.47 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.4 p -165.03 137.88 4.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.904 0.383 . . . . 0.0 110.88 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 7' ' ' GLY . 10.4 m -118.13 46.08 1.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 35.24 -108.03 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.2 t -141.66 151.09 42.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.769 0.319 . . . . 0.0 111.14 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.87 165.27 30.16 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -149.8 152.8 35.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.361 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 -154.96 134.77 8.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.575 0.703 . . . . 0.0 110.896 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -90.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.687 2.258 . . . . 0.0 112.295 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.542 ' CZ ' ' HB3' ' A' ' 25' ' ' LYS . 75.5 m-85 -115.6 143.59 45.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.84 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 15' ' ' CYS . 23.0 mm -137.78 154.76 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.171 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.438 ' N ' HG22 ' A' ' 14' ' ' ILE . 8.6 t -99.82 117.65 34.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.8 t -72.14 -0.84 12.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.814 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.585 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 69.4 mm-40 -92.66 -48.06 6.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.7 p -118.86 -51.67 2.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.37 34.05 0.98 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.511 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.403 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 10.4 ttmm -86.99 166.06 15.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.438 HG22 ' CD1' ' A' ' 14' ' ' ILE . 14.1 t -118.29 124.2 72.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.174 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.411 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 68.1 m-85 -119.49 133.73 55.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.2 m -67.63 -41.67 83.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -113.07 122.18 46.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.542 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 13.6 ptmt -41.96 -43.17 3.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.432 ' CG2' ' N ' ' A' ' 27' ' ' ASN . 1.4 t -48.31 -40.66 25.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.432 ' N ' ' CG2' ' A' ' 26' ' ' THR . 37.2 t-20 -68.02 -32.28 72.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.854 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.8 tp -74.53 -49.11 23.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 60.3 mt -57.64 -44.44 85.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 67.8 mt -70.02 -31.18 46.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.423 ' O ' HG23 ' A' ' 34' ' ' ILE . 4.1 t60 -71.53 -51.44 23.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -42.76 -23.8 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 31' ' ' HIS . 41.9 mttt -57.41 -44.91 84.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.423 HG23 ' O ' ' A' ' 31' ' ' HIS . 15.2 pt -47.22 -21.21 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.165 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.585 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 70.0 m-70 -89.77 -35.94 15.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.836 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.3 t -114.85 49.33 1.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.121 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.43 -61.82 0.1 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -111.11 76.66 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 -123.78 143.95 43.38 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.595 0.712 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -38.93 6.99 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.689 2.259 . . . . 0.0 112.339 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.9 p -97.45 90.34 5.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -148.5 -158.15 7.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 97.41 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.693 2.262 . . . . 0.0 112.329 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 87.2 p -86.37 43.4 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 52.0 m 44.35 41.09 4.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.879 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.486 -179.997 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.9 t -142.04 129.5 21.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.353 . . . . 0.0 110.849 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.5 m -138.17 142.51 40.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.08 72.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 t -86.23 113.49 22.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.864 0.364 . . . . 0.0 110.845 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.8 t -118.85 42.08 2.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.85 -179.02 47.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.47 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.3 m -46.92 123.89 5.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 111.125 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.08 -48.9 5.24 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.458 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -73.34 146.86 44.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.826 0.346 . . . . 0.0 110.915 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.435 ' OD1' HD11 ' A' ' 14' ' ' ILE . 44.3 m-20 -149.11 105.02 3.35 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.659 0.742 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.547 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.74 -50.96 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.72 2.28 . . . . 0.0 112.326 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.549 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 67.7 m-85 -161.83 132.39 4.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.722 HG12 HG22 ' A' ' 21' ' ' VAL . 97.6 mt -132.73 127.6 56.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.116 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.8 t -57.7 124.28 18.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.1 t -84.22 32.65 0.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.42 ' OE2' ' CB ' ' A' ' 35' ' ' HIS . 11.7 mt-10 -133.45 -44.36 0.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.6 p -117.42 -49.95 2.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.75 44.55 0.5 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.499 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.5 tttp -105.47 138.25 41.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.806 0.336 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.722 HG22 HG12 ' A' ' 14' ' ' ILE . 77.9 t -96.8 135.19 31.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.177 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -124.21 137.21 54.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.1 p -57.88 -53.47 57.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 25' ' ' LYS . 1.3 p80 -121.42 129.52 53.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.815 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.599 ' HD2' HD23 ' A' ' 28' ' ' LEU . 13.2 tptm -34.84 -54.05 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 25' ' ' LYS . 24.8 m -33.88 -50.1 0.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.408 ' HB2' ' CE1' ' A' ' 24' ' ' HIS . 2.4 t-20 -63.01 -44.23 96.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.599 HD23 ' HD2' ' A' ' 25' ' ' LYS . 6.6 tp -61.87 -48.14 81.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 51.0 mt -55.21 -38.43 47.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.145 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.1 mt -70.13 -32.94 52.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.473 ' O ' ' N ' ' A' ' 33' ' ' LYS . 12.1 t60 -73.3 -60.19 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -40.04 -25.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 31' ' ' HIS . 28.8 mttm -51.49 -44.3 62.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.472 HG13 ' N ' ' A' ' 35' ' ' HIS . 19.8 pt -52.38 -31.16 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.105 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.472 ' N ' HG13 ' A' ' 34' ' ' ILE . 50.9 m-70 -70.98 -37.71 72.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 36' ' ' THR . 10.0 t -97.16 127.26 42.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 133.25 -89.08 0.26 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.517 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -104.61 -47.05 4.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.342 . . . . 0.0 110.905 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.0 mmt85 -56.58 144.9 62.78 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.62 0.724 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.73 133.35 25.42 Favored 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.733 2.289 . . . . 0.0 112.375 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.0 m -113.62 143.51 44.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.55 145.86 46.26 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.481 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -48.08 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.688 2.259 . . . . 0.0 112.375 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.1 m -93.2 118.35 31.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 51.0 m -77.69 89.31 3.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 CA-C-O 119.107 -0.83 . . . . 0.0 112.53 -179.945 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.4 p -67.45 163.72 20.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.906 0.384 . . . . 0.0 110.83 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.0 p -160.5 160.9 32.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.863 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 98.27 -41.26 2.29 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.528 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 4' ' ' GLY . 36.0 m 35.31 41.66 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.844 0.354 . . . . 0.0 110.851 -179.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.9 p -78.99 156.19 28.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.14 61.62 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.2 t -91.03 137.77 32.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.804 0.335 . . . . 0.0 111.171 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -126.35 59.26 0.67 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.447 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -97.93 -58.41 1.99 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.807 0.337 . . . . 0.0 110.835 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.623 ' HB2' HD11 ' A' ' 14' ' ' ILE . 73.1 m-20 -49.33 152.97 1.92 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.61 0.719 . . . . 0.0 110.913 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.424 ' HB2' ' CD2' ' A' ' 13' ' ' PHE . 54.2 Cg_endo -69.76 -49.98 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.644 2.229 . . . . 0.0 112.394 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.424 ' CD2' ' HB2' ' A' ' 12' ' ' PRO . 49.8 m-85 -150.52 125.21 9.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.623 HD11 ' HB2' ' A' ' 11' ' ' ASN . 21.5 mt -122.48 143.58 34.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.3 t -80.09 132.86 36.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.8 m -75.43 -17.51 60.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.518 ' HG3' ' CG ' ' A' ' 35' ' ' HIS . 15.3 mm-40 -77.68 -67.76 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.9 p -99.5 -52.99 3.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.31 44.3 0.57 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.457 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.8 tttp -96.63 130.35 43.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.825 0.345 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.479 HG22 HG12 ' A' ' 14' ' ' ILE . 95.5 t -83.84 130.58 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -121.22 149.86 42.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.7 m -49.81 -62.97 1.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.146 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.542 ' H ' ' CD2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -127.13 161.09 29.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -50.77 -31.79 17.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.5 m -57.86 -41.31 82.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.47 ' OD1' ' CD2' ' A' ' 24' ' ' HIS . 3.2 m120 -71.16 -41.56 70.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.1 tp -62.5 -46.98 85.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.9 mt -56.33 -40.94 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 80.1 mt -63.68 -34.75 69.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.52 ' O ' ' N ' ' A' ' 33' ' ' LYS . 5.7 t60 -76.81 -58.49 3.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 31' ' ' HIS . 67.7 mt-30 -34.66 -31.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.52 ' N ' ' O ' ' A' ' 31' ' ' HIS . 1.6 mtpm? -47.32 -48.22 25.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.487 HG13 ' N ' ' A' ' 35' ' ' HIS . 8.1 pt -53.57 -26.41 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.518 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 90.5 m-70 -84.29 12.37 6.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.825 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 33' ' ' LYS . 14.8 t -160.25 130.26 5.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.161 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -41.16 -90.82 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.6 tp10 52.41 42.26 31.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.857 0.361 . . . . 0.0 110.896 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.407 ' NH1' ' HA ' ' A' ' 41' ' ' SER . 3.3 ppt_? -171.11 150.84 3.01 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.619 0.723 . . . . 0.0 110.85 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 87.6 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.674 2.25 . . . . 0.0 112.357 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 42' ' ' GLY . 70.4 m -46.23 -39.61 10.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 41' ' ' SER . . . -35.41 140.01 0.2 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.518 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -18.39 37.13 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.649 2.233 . . . . 0.0 112.366 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 t -68.75 77.36 0.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 t -59.77 100.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.869 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.143 -0.81 . . . . 0.0 112.499 179.968 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.0 p -152.17 128.99 10.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.876 0.37 . . . . 0.0 110.838 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.1 p -133.13 147.83 52.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.54 -140.98 4.01 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.512 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.0 m -130.77 112.25 12.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.884 0.373 . . . . 0.0 110.844 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.3 m -111.31 -48.88 3.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 8' ' ' THR . . . 82.66 43.04 7.99 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 7' ' ' GLY . 27.7 p 35.01 40.5 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.879 0.371 . . . . 0.0 111.144 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.56 -119.11 14.17 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -132.71 97.53 4.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.792 0.329 . . . . 0.0 110.881 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -67.88 150.15 97.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.577 0.703 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.571 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 53.4 Cg_endo -69.82 -54.48 0.21 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.672 2.248 . . . . 0.0 112.307 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.571 ' CG ' ' O ' ' A' ' 12' ' ' PRO . 35.5 m-85 -162.62 121.16 2.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 71.1 mt -125.17 140.59 47.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.3 t -69.4 122.36 18.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.5 m -84.18 35.46 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.851 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.487 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 6.5 mm-40 -133.17 -50.33 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.875 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.2 p -113.78 -46.72 3.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.39 40.23 0.55 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.504 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.7 tttp -103.8 124.9 49.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.788 0.328 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.8 p -94.05 139.09 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -125.62 137.24 53.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.9 m -61.7 -44.0 97.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -104.95 143.03 33.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.5 pttm -59.52 -42.03 91.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.2 m -56.9 -46.85 81.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.171 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -50.24 -49.7 52.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.497 HD11 ' NE2' ' A' ' 32' ' ' GLN . 18.2 tp -56.31 -57.3 12.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.9 mt -46.48 -44.42 6.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 42.2 mt -62.12 -35.12 67.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.461 ' O ' ' N ' ' A' ' 33' ' ' LYS . 35.9 t60 -73.63 -63.44 1.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.497 ' NE2' HD11 ' A' ' 28' ' ' LEU . 87.5 mt-30 -40.66 -24.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 31' ' ' HIS . 13.6 mtpt -46.29 -32.21 2.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.491 HG13 ' N ' ' A' ' 35' ' ' HIS . 28.5 pt -71.91 -31.5 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.134 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.491 ' N ' HG13 ' A' ' 34' ' ' ILE . 75.2 m-70 -75.32 -38.53 60.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.407 HG22 ' HA ' ' A' ' 33' ' ' LYS . 10.2 t -83.18 -37.1 24.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -139.52 173.24 22.9 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.513 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 60.23 48.37 8.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.876 0.37 . . . . 0.0 110.898 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.449 ' H ' ' NE ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -125.49 152.37 71.56 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.601 0.715 . . . . 0.0 110.893 -179.927 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 118.01 5.43 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 93.1 p -48.56 104.98 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.97 -95.21 0.23 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -173.64 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.665 2.244 . . . . 0.0 112.301 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 45' ' ' SER . 3.2 t 51.48 42.21 29.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 44' ' ' SER . 50.3 p -35.14 124.56 0.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.097 -0.835 . . . . 0.0 112.473 -179.99 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_