data_2ep3_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 2ep3 _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 ' 11' ' ' LYS . . . . . . . . . . . . . 11.6 mptt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 121.573 0.702 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.455 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.4 Cg_endo -69.76 -36.57 10.56 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.644 2.229 . . . . 0.0 112.396 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.455 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 60.9 m-85 -101.12 157.96 16.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -153.32 140.79 19.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.9 t -84.06 111.14 19.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.33 -3.13 18.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.093 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -87.69 -58.3 2.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.7 p -107.08 -48.47 3.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.17 34.22 0.84 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.2 tttp -87.21 152.86 21.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.89 140.26 39.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.505 ' CD1' HD11 ' A' ' 28' ' ' LEU . 81.8 m-85 -135.71 151.11 49.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.2 m -85.9 -38.81 17.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.193 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -126.41 147.98 49.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 28' ' ' LEU . 30.0 ttt180 -53.33 -57.43 10.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 25' ' ' ARG . 96.0 p -35.38 -43.62 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -64.99 -47.02 79.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.505 HD11 ' CD1' ' A' ' 22' ' ' PHE . 64.1 tp -56.1 -56.4 21.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -52.75 -44.28 66.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 98.1 m -57.11 -32.7 66.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 38.5 t60 -79.26 -45.35 19.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -45.62 -21.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -50.24 -46.73 55.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -65.68 -15.34 18.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 179.916 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.573 0.702 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -39.13 6.79 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.644 2.23 . . . . 0.0 112.325 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.553 ' CE1' ' HB3' ' A' ' 25' ' ' ARG . 74.4 m-85 -92.18 136.28 33.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.95 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.455 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 29.6 ttm-85 -142.64 149.13 38.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.455 ' N ' ' HG2' ' A' ' 14' ' ' ARG . 11.5 t -79.37 120.96 24.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.12 30.73 0.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.485 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 5.4 mm-40 -126.34 -46.72 1.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.5 p -117.64 -50.4 2.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.13 37.49 0.42 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.505 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.552 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 5.2 tptp -85.61 153.8 22.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.802 0.334 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.24 142.81 37.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.552 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 65.7 m-85 -147.33 130.77 16.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.9 p -74.06 -27.24 60.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.137 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 25' ' ' ARG . 1.7 m-20 -134.74 118.99 17.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.553 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 10.2 ptm180 -38.53 -40.94 0.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.1 p -39.14 -47.42 1.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -71.81 -40.42 69.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.413 HD12 ' CE2' ' A' ' 22' ' ' PHE . 30.6 tp -54.59 -44.16 72.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -59.45 -40.86 88.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 34.4 m -64.96 -41.85 95.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.553 ' CE1' HD13 ' A' ' 34' ' ' ILE . 5.1 t60 -68.9 -50.56 48.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -42.34 -24.62 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 31' ' ' HIS . 44.5 mttm -51.31 -47.16 62.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.553 HD13 ' CE1' ' A' ' 31' ' ' HIS . 19.4 pt -48.54 -23.72 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.485 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 90.6 m-70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.434 ' HD3' ' N ' ' A' ' 11' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 121.561 0.696 . . . . 0.0 110.885 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -32.97 17.48 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.685 2.256 . . . . 0.0 112.325 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.505 ' CE1' ' HG3' ' A' ' 25' ' ' ARG . 57.8 m-85 -102.63 143.85 31.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -150.3 155.98 40.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.856 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.3 t -92.97 131.3 38.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.14 -3.34 58.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.566 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 21.7 mp0 -88.64 -59.38 2.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.851 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.1 p -104.7 -49.55 3.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.56 39.99 0.59 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.447 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 50.4 tttt -89.64 149.79 22.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.418 ' HB1' ' CE ' ' A' ' 11' ' ' LYS . . . -98.85 139.54 34.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.093 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.448 ' CD1' HD11 ' A' ' 28' ' ' LEU . 51.7 m-85 -135.88 147.68 48.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.8 t -94.89 -20.88 19.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.144 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -139.25 139.19 37.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.505 ' HG3' ' CE1' ' A' ' 13' ' ' TYR . 31.6 mtt85 -50.51 -53.4 30.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.4 t -40.9 -53.64 2.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -57.11 -43.65 82.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.448 HD11 ' CD1' ' A' ' 22' ' ' PHE . 34.1 tp -61.62 -48.59 80.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -54.65 -44.16 73.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.1 m -60.68 -38.05 83.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.482 ' CE1' HD11 ' A' ' 34' ' ' ILE . 17.8 t60 -70.11 -47.96 59.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -44.88 -21.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 31' ' ' HIS . 30.5 mttm -48.03 -47.27 33.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.482 HD11 ' CE1' ' A' ' 31' ' ' HIS . 11.5 pt -57.35 -23.91 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.059 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.566 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 96.0 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? . . . . . 0 C--O 1.23 0.056 0 CA-C-O 121.577 0.703 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.555 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.2 Cg_endo -69.8 -36.46 10.65 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.661 2.241 . . . . 0.0 112.305 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.555 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 39.7 m-85 -92.08 138.49 31.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.927 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.409 ' HD2' ' C ' ' A' ' 14' ' ' ARG . 6.1 tmm_? -144.85 143.33 30.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.3 t -75.97 124.41 27.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.815 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.28 20.79 2.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.075 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.545 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 6.5 mm-40 -118.29 -49.53 2.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.2 p -108.13 -50.5 3.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.78 43.74 0.48 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.3 tttt -104.31 161.05 14.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.813 0.34 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.95 153.5 20.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.082 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.555 ' CD1' HD13 ' A' ' 28' ' ' LEU . 90.2 m-85 -146.82 144.69 29.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.945 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 80.7 p -73.83 -43.58 58.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.111 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.401 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 3.2 t0 -125.3 154.73 41.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.519 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 23.4 ptt-85 -62.1 -34.55 76.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.0 t -57.09 -50.88 71.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -58.44 -35.45 72.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.555 HD13 ' CD1' ' A' ' 22' ' ' PHE . 44.7 tp -67.0 -53.1 34.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -52.03 -45.18 64.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 59.1 m -61.33 -33.05 72.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.153 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.407 ' C ' ' N ' ' A' ' 33' ' ' LYS . 12.1 t60 -73.78 -49.5 25.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -44.38 -22.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.407 ' N ' ' C ' ' A' ' 31' ' ' HIS . 57.8 mttm -49.96 -39.64 41.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.454 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -64.03 -25.02 37.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.545 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 78.5 m-70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.445 ' HE3' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.527 0.68 . . . . 0.0 110.916 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -31.96 19.58 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.698 2.265 . . . . 0.0 112.374 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.553 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 81.2 m-85 -99.48 151.55 21.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.419 ' C ' ' HD2' ' A' ' 14' ' ' ARG . 1.6 tmm_? -155.1 145.77 22.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.2 t -84.61 114.1 21.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.98 -8.07 50.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.03 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.477 ' HG3' ' CG ' ' A' ' 35' ' ' HIS . 17.1 mm-40 -82.74 -62.39 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.2 p -100.93 -48.57 4.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.23 23.67 1.92 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.512 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 74.6 mttt -76.26 161.71 28.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.774 0.321 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.64 148.89 31.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -145.55 135.37 23.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.829 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.9 p -72.82 -41.08 65.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.147 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -119.55 143.42 47.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.553 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 11.6 tpt180 -56.56 -52.98 62.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.1 p -40.48 -42.68 1.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -64.97 -51.04 63.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.9 tp -50.31 -47.31 55.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -55.56 -45.63 77.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.7 m -57.15 -33.07 67.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.512 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 47.2 t60 -79.83 -42.85 23.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.829 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -51.15 -17.42 0.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -51.88 -45.66 64.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -63.98 -12.23 11.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.078 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.477 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 78.4 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.438 ' HE3' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.62 0.724 . . . . 0.0 110.887 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.411 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.1 Cg_endo -69.73 -24.08 30.23 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.742 2.294 . . . . 0.0 112.328 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.411 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 87.8 m-85 -111.11 158.44 18.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -163.11 133.52 4.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.7 t -68.03 105.44 2.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.04 -10.27 13.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.95 -62.17 1.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.7 p -96.94 -48.1 5.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.05 33.05 1.09 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.495 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 20.9 mttp -79.7 -178.76 6.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.783 0.325 . . . . 0.0 110.885 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.12 134.97 47.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.079 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -136.92 151.39 49.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.7 m -86.42 -44.73 11.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.133 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -117.02 147.14 42.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.526 ' HG2' ' CD1' ' A' ' 29' ' ' PHE . 49.2 ttp180 -56.94 -48.05 79.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.2 m -45.37 -48.47 13.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -60.38 -43.59 96.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.4 tp -62.4 -59.3 5.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.526 ' CD1' ' HG2' ' A' ' 25' ' ' ARG . 6.8 m-85 -42.82 -43.54 4.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.6 m -60.33 -38.85 85.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.502 ' CE1' HD11 ' A' ' 34' ' ' ILE . 30.3 t60 -74.36 -50.27 19.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -42.14 -23.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 31' ' ' HIS . 90.1 mttt -49.89 -49.18 50.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.502 HD11 ' CE1' ' A' ' 31' ' ' HIS . 6.0 pt -56.23 -17.25 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.861 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 121.588 0.709 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -26.48 27.26 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.642 2.228 . . . . 0.0 112.324 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.559 ' CE1' ' HG3' ' A' ' 25' ' ' ARG . 85.7 m-85 -107.24 142.16 37.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -141.86 142.57 33.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.3 t -76.32 117.02 17.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.0 31.24 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.56 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 25.9 mt-10 -129.06 -43.55 1.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.7 p -119.1 -49.26 2.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.09 59.11 0.25 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.46 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.0 tttm -114.27 169.41 9.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.766 0.317 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.97 140.91 48.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.056 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.456 ' CD2' HD13 ' A' ' 28' ' ' LEU . 98.8 m-85 -141.07 134.8 30.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.7 t -72.42 -30.44 64.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -138.08 160.52 39.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.559 ' HG3' ' CE1' ' A' ' 13' ' ' TYR . 27.0 mtt85 -62.23 -58.94 5.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 25' ' ' ARG . 30.7 t -34.47 -52.26 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -60.38 -43.55 96.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 25' ' ' ARG . 22.9 tp -62.81 -51.62 66.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -54.9 -41.2 70.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.2 m -60.22 -38.5 83.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.18 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 33' ' ' LYS . 20.1 t60 -73.12 -54.78 7.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 31' ' ' HIS . 32.5 mt-30 -35.95 -30.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 31' ' ' HIS . 63.8 mttm -47.74 -48.63 29.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.461 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -44.33 -25.28 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.56 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 72.4 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.588 0.709 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.512 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.78 -26.49 27.44 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.629 2.219 . . . . 0.0 112.348 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.55 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 41.1 m-85 -117.92 153.95 32.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.3 ttm105 -158.52 151.93 23.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.4 t -83.13 127.39 33.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -89.54 30.13 1.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -129.82 -51.08 1.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.2 p -109.09 -47.57 3.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.16 40.75 0.67 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.508 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.565 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 45.0 mttm -89.36 157.55 18.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.854 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.01 135.69 50.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -131.03 159.71 36.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.1 p -93.39 -42.1 9.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -116.47 153.47 32.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.55 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 27.7 ttp180 -63.26 -52.56 61.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.9 t -44.21 -46.67 9.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -62.11 -42.93 99.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.402 ' CD2' ' HB3' ' A' ' 13' ' ' TYR . 32.3 tp -61.52 -54.37 44.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -51.82 -49.39 62.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.481 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 42.1 m -54.83 -36.32 64.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.565 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 36.0 t60 -68.43 -54.12 19.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.835 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -45.49 -22.35 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.481 ' CG ' ' O ' ' A' ' 30' ' ' THR . 36.2 mmtt -49.92 -42.17 47.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.8 pt -61.45 -24.16 32.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.113 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.883 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' A' ' 23' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.601 0.715 . . . . 0.0 110.879 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.422 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.8 -26.95 26.87 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.718 2.278 . . . . 0.0 112.306 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.497 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 83.5 m-85 -102.94 150.54 23.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -151.38 139.28 19.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.5 t -77.54 118.93 20.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.419 ' C ' ' OE1' ' A' ' 17' ' ' GLU . . . -81.37 13.89 2.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.419 ' OE1' ' C ' ' A' ' 16' ' ' ALA . 1.0 OUTLIER -108.32 -50.07 3.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.5 p -111.73 -45.66 3.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.82 32.78 1.37 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.519 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.475 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 19.4 mtpp -84.23 166.35 17.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.781 0.324 . . . . 0.0 110.897 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.64 133.03 56.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.103 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.408 ' C ' ' HG2' ' A' ' 11' ' ' LYS . 84.6 m-85 -132.37 128.05 36.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.433 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 68.3 p -66.73 -39.41 87.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -112.91 166.31 11.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.497 ' HB2' ' CZ ' ' A' ' 13' ' ' TYR . 40.1 ttt180 -80.65 -53.62 6.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 t -42.67 -45.57 4.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -59.75 -42.3 92.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.7 tp -61.12 -59.4 5.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -43.37 -49.13 7.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.992 0.425 . . . . 0.0 110.928 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 89.6 m -58.2 -39.04 77.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.134 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.475 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 46.9 t60 -70.65 -45.2 65.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -49.8 -18.11 0.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -52.0 -46.33 64.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.0 pt -60.12 -9.67 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.85 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.422 ' CG ' ' HB1' ' A' ' 21' ' ' ALA . 64.2 mmtt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 121.547 0.689 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.475 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.5 Cg_endo -69.76 -27.12 26.83 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.685 2.257 . . . . 0.0 112.331 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.475 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 47.3 m-85 -110.69 134.34 52.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.9 ttm105 -134.35 155.81 49.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.9 t -88.59 126.06 35.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.08 25.9 1.49 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.071 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.558 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 12.1 mm-40 -122.35 -47.36 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.868 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.2 p -117.67 -49.23 2.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.84 42.36 0.41 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.453 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 13.6 mtpp -92.11 158.45 16.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.802 0.334 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.422 ' HB1' ' CG ' ' A' ' 11' ' ' LYS . . . -104.07 139.53 39.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.133 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.439 ' CD1' HD11 ' A' ' 28' ' ' LEU . 72.5 m-85 -140.42 129.72 23.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.5 t -82.02 -21.92 36.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.181 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -126.04 142.96 51.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.3 ttp-105 -61.3 -56.26 22.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.0 t -44.77 -40.15 5.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -63.62 -47.99 79.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.439 HD11 ' CD1' ' A' ' 22' ' ' PHE . 40.6 tp -60.45 -58.01 10.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -49.39 -38.36 28.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 62.6 m -66.5 -34.76 78.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.136 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.453 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 8.7 t60 -76.0 -47.2 25.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.832 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -42.67 -23.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 31' ' ' HIS . 38.6 mtmt -51.8 -41.18 61.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.9 pt -56.48 -18.91 7.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.159 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.558 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 97.2 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.422 ' HD2' ' CB ' ' A' ' 21' ' ' ALA . 26.4 mttm . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.54 0.686 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -36.98 9.71 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.649 2.233 . . . . 0.0 112.343 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.603 ' CE1' ' CG ' ' A' ' 25' ' ' ARG . 74.5 m-85 -94.26 141.58 28.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.938 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.404 ' HD3' ' C ' ' A' ' 15' ' ' CYS . 0.4 OUTLIER -146.11 135.3 22.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.937 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.404 ' C ' ' HD3' ' A' ' 14' ' ' ARG . 6.2 t -73.63 109.19 6.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.15 -14.89 54.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.067 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -75.78 -66.09 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.3 p -98.52 -49.13 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.2 31.74 1.05 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.1 mtpp -73.37 -177.85 2.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.738 0.304 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.422 ' CB ' ' HD2' ' A' ' 11' ' ' LYS . . . -131.97 134.81 46.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -139.72 138.95 36.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.7 t -81.41 -25.79 35.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -131.97 149.33 52.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.603 ' CG ' ' CE1' ' A' ' 13' ' ' TYR . 18.0 mtt-85 -58.04 -56.63 19.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 25' ' ' ARG . 15.4 t -37.78 -53.85 1.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -57.96 -40.57 80.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 25' ' ' ARG . 23.2 tp -65.12 -48.34 73.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -54.59 -43.26 71.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 59.0 m -60.59 -33.59 72.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.439 ' CE1' HD11 ' A' ' 34' ' ' ILE . 9.0 t60 -79.18 -49.23 12.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -43.16 -22.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 31' ' ' HIS . 45.8 mtmt -52.49 -40.5 62.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.481 HD12 ' CE1' ' A' ' 35' ' ' HIS . 5.8 pt -57.0 -12.33 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.481 ' CE1' HD12 ' A' ' 34' ' ' ILE . 95.6 m-70 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 121.613 0.721 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -40.49 5.25 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.698 2.265 . . . . 0.0 112.369 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -88.21 148.45 24.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -153.39 140.03 18.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 17' ' ' GLU . 11.4 t -83.13 78.89 9.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.03 -23.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 15' ' ' CYS . 8.2 mm-40 -60.95 -54.59 43.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.9 p -108.64 -42.22 4.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.91 36.71 0.94 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.543 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -89.13 -179.79 5.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.774 0.321 . . . . 0.0 110.944 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.88 133.98 40.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.056 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -135.37 136.78 41.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.4 t -75.62 -28.77 58.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -122.84 158.31 30.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -74.9 -44.86 46.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.6 t -50.1 -55.2 15.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -55.59 -41.29 73.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.0 tp -59.2 -49.5 77.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -54.07 -48.32 70.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.831 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 98.0 m -55.16 -33.94 63.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.48 ' CE1' HD11 ' A' ' 34' ' ' ILE . 24.2 t60 -74.97 -41.21 60.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.88 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -52.83 -15.96 0.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -58.27 -20.39 41.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.48 HD11 ' CE1' ' A' ' 31' ' ' HIS . 22.3 pt -79.51 -10.8 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.146 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.418 ' NE2' HD12 ' A' ' 34' ' ' ILE . 66.2 m-70 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.821 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.409 ' CG ' HG21 ' A' ' 23' ' ' THR . 10.6 mptt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.551 0.691 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -27.58 26.19 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.688 2.259 . . . . 0.0 112.342 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.553 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 68.7 m-85 -103.43 162.14 13.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -161.99 133.17 5.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 19' ' ' GLY . 7.4 t -84.66 81.97 8.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.75 -26.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.079 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.552 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 6.2 mp0 -57.26 -61.78 2.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.8 p -105.78 -39.47 6.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 114.49 33.5 1.74 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.456 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.5 mttt -87.55 157.08 19.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.785 0.326 . . . . 0.0 110.895 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.89 129.62 55.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.4 ' CD2' ' HA ' ' A' ' 28' ' ' LEU . 27.9 m-85 -125.41 135.9 52.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.409 HG21 ' CG ' ' A' ' 11' ' ' LYS . 60.3 p -77.21 -37.83 52.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.181 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -117.94 146.66 43.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.553 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 28.6 ttp180 -63.08 -56.46 16.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 77.6 p -41.05 -43.63 2.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.0 m-20 -64.24 -44.01 93.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.4 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 19.3 tp -58.64 -58.11 10.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -45.54 -45.26 13.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 86.8 m -57.19 -43.07 82.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.097 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 33' ' ' LYS . 32.7 t60 -65.74 -53.93 34.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -38.57 -26.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' HIS . 26.2 mtmt -46.93 -49.53 20.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.459 HG13 ' N ' ' A' ' 35' ' ' HIS . 8.5 pt -51.31 -26.43 5.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.552 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 91.1 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.819 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.562 0.696 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.413 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.5 Cg_endo -69.8 -17.2 37.55 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.702 2.268 . . . . 0.0 112.302 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.56 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 87.1 m-85 -117.88 122.99 44.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -125.83 139.39 53.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.6 t -76.33 122.93 25.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.1 30.43 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.567 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 17.4 mm-40 -126.76 -51.09 1.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.7 p -113.66 -49.02 2.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.01 27.8 0.99 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.425 ' HA ' ' NZ ' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -82.01 150.54 27.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.815 0.34 . . . . 0.0 110.909 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.33 144.37 35.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.057 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -140.33 136.6 33.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 t -67.32 -38.8 85.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -112.35 169.51 8.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.56 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 5.9 ttm105 -87.73 -45.29 10.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.5 m -49.44 -47.03 48.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.804 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -61.83 -43.54 98.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.6 tp -55.02 -58.25 8.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -47.42 -39.54 15.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 92.7 m -64.88 -37.57 88.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -70.72 -35.76 72.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -55.13 -14.08 1.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -57.55 -24.08 54.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.415 HD12 ' NE2' ' A' ' 35' ' ' HIS . 25.6 pt -75.99 -10.51 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.567 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 77.2 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.0 mttt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.562 0.696 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.533 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.78 -27.22 26.66 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.682 2.255 . . . . 0.0 112.326 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.533 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 37.0 m-85 -108.1 153.3 23.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.974 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.407 ' CG ' ' O ' ' A' ' 20' ' ' LYS . 44.7 ttp180 -156.54 151.78 26.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.6 t -83.96 122.27 28.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.02 29.91 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.112 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -125.19 -53.97 1.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.5 p -106.79 -43.14 4.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.04 38.8 0.85 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.407 ' O ' ' CG ' ' A' ' 14' ' ' ARG . 57.1 tttm -94.38 162.48 13.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.813 0.339 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.12 144.05 40.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.117 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -139.42 132.65 29.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 t -67.79 -32.61 73.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.158 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.496 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 13.7 t70 -124.81 170.9 10.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.44 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 8.4 tpp85 -87.32 -47.77 8.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.4 p -44.77 -42.42 7.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.803 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -69.05 -43.53 74.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.8 tp -54.3 -47.48 72.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -53.98 -47.84 70.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 99.8 m -55.67 -41.37 73.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.418 ' C ' ' N ' ' A' ' 33' ' ' LYS . 46.8 t60 -66.68 -47.86 71.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -43.57 -22.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.418 ' N ' ' C ' ' A' ' 31' ' ' HIS . 52.9 mtmt -51.27 -48.31 62.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.413 HD11 ' NE2' ' A' ' 35' ' ' HIS . 5.9 pt -60.65 -9.24 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.413 ' NE2' HD11 ' A' ' 34' ' ' ILE . 94.3 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.82 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.9 mptt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.573 0.702 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -38.94 7.03 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.676 2.251 . . . . 0.0 112.366 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.517 ' CE1' ' HB3' ' A' ' 25' ' ' ARG . 51.5 m-85 -93.85 149.16 21.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.5 tpp85 -148.22 142.16 25.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.0 t -79.55 109.76 14.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.8 -0.84 7.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.069 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -90.41 -64.46 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -101.34 -48.26 4.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.52 55.42 0.26 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.487 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.423 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 31.4 tttt -109.67 151.91 26.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.788 0.328 . . . . 0.0 110.854 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.48 142.21 29.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.423 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 98.4 m-85 -138.56 123.38 18.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.1 t -67.95 -22.32 65.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.173 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -139.69 126.3 20.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.517 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 25.6 ptt180 -47.37 -41.4 19.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.8 p -46.63 -46.32 19.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -65.27 -43.35 91.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 44.2 tp -52.98 -55.7 21.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.959 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -47.19 -48.66 23.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 97.1 m -56.14 -33.63 65.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.151 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.494 ' O ' ' N ' ' A' ' 33' ' ' LYS . 38.1 t60 -76.08 -51.6 11.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -38.86 -26.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 31' ' ' HIS . 8.6 mtmp? -49.73 -48.6 49.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.853 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.439 HD12 ' CE1' ' A' ' 31' ' ' HIS . 6.1 pt -58.49 -17.9 10.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.079 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.863 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' A' ' 23' ' ' THR . 6.3 mptt . . . . . 0 C--O 1.231 0.132 0 CA-C-O 121.55 0.69 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -28.06 25.75 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.755 2.303 . . . . 0.0 112.315 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 73.2 m-85 -102.4 161.51 13.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.411 ' HD2' ' C ' ' A' ' 14' ' ' ARG . 2.0 tmm_? -167.13 135.36 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.827 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.5 t -75.36 120.62 21.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.51 0.23 30.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.117 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.507 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 52.5 mm-40 -92.6 -50.18 5.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.7 p -108.56 -46.41 3.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.861 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.23 27.23 3.21 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.451 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.444 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 51.2 tttt -84.41 158.22 21.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.753 0.311 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.33 145.23 29.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.098 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.444 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 98.2 m-85 -143.0 124.94 15.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.433 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 9.5 t -68.33 -31.73 71.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.145 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -121.65 151.49 40.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.564 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 63.6 ttp85 -69.76 -54.47 13.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.7 m -40.12 -48.57 2.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -59.29 -45.34 91.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.0 tp -56.02 -60.74 3.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -49.2 -41.78 38.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 97.8 m -64.48 -33.2 75.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.162 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.45 ' O ' ' N ' ' A' ' 33' ' ' LYS . 9.2 t60 -73.83 -48.34 31.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -40.57 -25.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 31' ' ' HIS . 35.2 mtmt -51.12 -44.09 61.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.451 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -51.49 -25.12 4.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.137 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.507 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 82.7 m-70 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.571 0.7 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.508 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.77 -32.21 19.0 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.707 2.271 . . . . 0.0 112.325 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.508 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 47.1 m-85 -95.47 143.08 27.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.0 ttt85 -145.88 147.44 31.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 19' ' ' GLY . 6.4 t -95.3 82.48 3.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.51 -23.5 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.071 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.499 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 79.9 mm-40 -60.38 -60.45 3.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.4 p -105.55 -40.13 5.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 114.85 43.8 0.72 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.458 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -100.99 172.95 6.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.831 0.348 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.57 148.39 45.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -147.51 150.53 34.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.4 m -105.06 27.73 7.91 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -172.27 136.16 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.831 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -58.74 -50.98 71.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.5 m -51.77 -43.26 62.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -60.96 -45.06 96.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.9 tp -61.04 -59.85 4.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -49.44 -39.36 32.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 73.1 m -63.78 -39.3 93.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.173 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.472 ' O ' ' N ' ' A' ' 33' ' ' LYS . 7.7 t60 -71.26 -49.09 46.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -40.12 -25.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 31' ' ' HIS . 72.1 mttt -50.71 -44.4 58.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.424 HG13 ' CD2' ' A' ' 35' ' ' HIS . 6.3 pt -50.41 -21.05 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.499 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 79.2 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.559 0.695 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.51 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.5 Cg_endo -69.73 -16.49 37.7 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.647 2.232 . . . . 0.0 112.337 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.563 ' CE2' ' HA ' ' A' ' 24' ' ' ASP . 48.6 m-85 -122.3 131.04 53.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -144.05 152.25 40.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.1 t -92.06 111.43 22.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.61 -18.09 64.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.097 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.506 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 8.9 mm-40 -70.86 -59.15 2.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.9 p -100.14 -48.35 4.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.09 41.42 0.9 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.526 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -100.67 161.31 13.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.779 0.323 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.48 145.57 28.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.07 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -138.99 143.63 38.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.9 p -73.17 -46.56 50.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.151 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.563 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 3.5 p-10 -131.75 176.74 8.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.878 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.514 ' HG3' ' CE1' ' A' ' 13' ' ' TYR . 27.6 mtm180 -68.65 -59.0 3.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 25' ' ' ARG . 15.4 t -34.42 -51.07 0.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -61.39 -45.34 94.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' ARG . 40.8 tp -64.72 -59.86 3.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -47.55 -40.76 19.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 86.3 m -63.0 -40.3 97.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.112 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.491 ' O ' ' N ' ' A' ' 33' ' ' LYS . 11.1 t60 -72.09 -52.83 14.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.874 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 31' ' ' HIS . 63.3 mt-30 -36.59 -29.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 31' ' ' HIS . 42.8 mttm -47.21 -48.7 24.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.47 HG13 ' N ' ' A' ' 35' ' ' HIS . 11.3 pt -44.58 -27.22 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.091 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.506 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 91.0 m-70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.576 0.703 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -33.13 17.15 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.641 2.227 . . . . 0.0 112.384 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -102.39 148.34 25.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.4 ttt85 -150.14 149.95 30.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.1 t -88.13 107.43 18.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.41 -9.1 16.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -83.16 -64.2 1.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.8 p -96.25 -48.75 5.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.38 28.84 1.88 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.463 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -80.09 170.15 16.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.34 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.2 142.52 46.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -142.2 135.76 29.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.0 p -75.92 -35.79 59.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.35 162.7 17.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -80.37 -49.92 10.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.1 m -41.42 -45.6 3.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -65.34 -51.03 63.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.1 tp -50.16 -56.54 10.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -51.31 -47.55 62.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 95.9 m -60.55 -29.27 69.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -79.66 -48.7 13.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -46.88 -19.86 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -52.99 -39.97 63.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.561 HD11 ' CE1' ' A' ' 35' ' ' HIS . 5.7 pt -60.23 -9.41 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.561 ' CE1' HD11 ' A' ' 34' ' ' ILE . 88.1 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.2 p -83.23 44.21 0.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.86 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.3 m -82.5 170.2 15.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.843 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.33 148.91 5.45 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 m -85.81 -54.22 4.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.892 0.377 . . . . 0.0 110.848 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 t -46.04 118.69 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.829 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 8' ' ' THR . . . 167.63 -94.4 0.11 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 7' ' ' GLY . 10.2 t -37.1 -41.14 0.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.833 0.349 . . . . 0.0 111.171 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -160.0 144.5 10.14 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -109.12 87.02 2.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.991 0.425 . . . . 0.0 110.912 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -101.42 146.85 32.91 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.573 0.702 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.455 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.4 Cg_endo -69.76 -36.57 10.56 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.644 2.229 . . . . 0.0 112.396 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.455 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 60.9 m-85 -101.12 157.96 16.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -153.32 140.79 19.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.9 t -84.06 111.14 19.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.33 -3.13 18.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.093 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -87.69 -58.3 2.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.7 p -107.08 -48.47 3.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.17 34.22 0.84 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.2 tttp -87.21 152.86 21.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.89 140.26 39.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.505 ' CD1' HD11 ' A' ' 28' ' ' LEU . 81.8 m-85 -135.71 151.11 49.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.2 m -85.9 -38.81 17.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.193 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -126.41 147.98 49.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 28' ' ' LEU . 30.0 ttt180 -53.33 -57.43 10.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 25' ' ' ARG . 96.0 p -35.38 -43.62 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -64.99 -47.02 79.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.505 HD11 ' CD1' ' A' ' 22' ' ' PHE . 64.1 tp -56.1 -56.4 21.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -52.75 -44.28 66.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 98.1 m -57.11 -32.7 66.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 38.5 t60 -79.26 -45.35 19.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -45.62 -21.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -50.24 -46.73 55.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -65.68 -15.34 18.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -92.38 -49.91 5.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.8 t -86.08 48.19 1.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -162.49 36.78 0.35 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.517 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -150.85 152.26 33.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.887 0.375 . . . . 0.0 110.894 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -46.42 143.81 3.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.564 0.697 . . . . 0.0 110.956 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 172.26 12.92 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.716 2.277 . . . . 0.0 112.343 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.9 m -117.74 174.95 5.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.818 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -155.35 146.03 13.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.481 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 44' ' ' SER . 54.2 Cg_endo -69.72 126.68 13.62 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.663 2.242 . . . . 0.0 112.394 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 43' ' ' PRO . 12.5 m 35.23 46.55 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 t -155.18 117.52 4.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.476 -179.997 . . . . . . . . 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 -0.344 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -154.82 150.52 27.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.926 0.394 . . . . 0.0 110.848 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.4 p -114.12 156.92 23.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 110.8 -158.03 14.62 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.455 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 4' ' ' GLY . 4.8 t 34.52 42.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.862 0.363 . . . . 0.0 110.832 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.9 m -86.27 -48.86 8.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.04 -157.83 24.08 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.529 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.9 m -87.02 122.95 31.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.857 0.361 . . . . 0.0 111.177 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 145.61 50.58 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -126.75 179.06 5.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.944 0.402 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -103.69 144.13 28.05 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.573 0.702 . . . . 0.0 110.926 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -39.13 6.79 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.644 2.23 . . . . 0.0 112.325 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.553 ' CE1' ' HB3' ' A' ' 25' ' ' ARG . 74.4 m-85 -92.18 136.28 33.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.95 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.455 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 29.6 ttm-85 -142.64 149.13 38.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.455 ' N ' ' HG2' ' A' ' 14' ' ' ARG . 11.5 t -79.37 120.96 24.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.12 30.73 0.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.485 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 5.4 mm-40 -126.34 -46.72 1.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.5 p -117.64 -50.4 2.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.13 37.49 0.42 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.505 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.552 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 5.2 tptp -85.61 153.8 22.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.802 0.334 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.24 142.81 37.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.552 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 65.7 m-85 -147.33 130.77 16.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.9 p -74.06 -27.24 60.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.137 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 25' ' ' ARG . 1.7 m-20 -134.74 118.99 17.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.553 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 10.2 ptm180 -38.53 -40.94 0.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.1 p -39.14 -47.42 1.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -71.81 -40.42 69.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.413 HD12 ' CE2' ' A' ' 22' ' ' PHE . 30.6 tp -54.59 -44.16 72.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -59.45 -40.86 88.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 34.4 m -64.96 -41.85 95.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.553 ' CE1' HD13 ' A' ' 34' ' ' ILE . 5.1 t60 -68.9 -50.56 48.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -42.34 -24.62 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 31' ' ' HIS . 44.5 mttm -51.31 -47.16 62.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.553 HD13 ' CE1' ' A' ' 31' ' ' HIS . 19.4 pt -48.54 -23.72 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.485 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 90.6 m-70 -90.48 -67.76 0.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.18 118.13 8.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -144.64 -133.67 2.68 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.513 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -133.79 170.81 15.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.918 0.39 . . . . 0.0 110.907 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm -92.27 144.01 28.33 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.577 0.704 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -2.44 10.17 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.665 2.244 . . . . 0.0 112.319 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.3 m -47.82 -49.96 27.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.844 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.79 83.39 0.1 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.539 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 2.8 3.2 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.706 2.271 . . . . 0.0 112.336 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.7 p 56.03 42.49 28.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.821 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.2 m -128.28 79.67 1.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 CA-C-O 119.197 -0.779 . . . . 0.0 112.502 -179.967 . . . . . . . . 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 -0.318 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -153.53 166.92 31.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.903 0.383 . . . . 0.0 110.857 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 t 63.01 44.11 6.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.847 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.66 62.35 3.04 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.1 p -111.75 161.63 16.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.906 0.384 . . . . 0.0 110.839 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t -60.42 158.75 11.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.32 127.47 2.95 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.0 m -98.8 40.47 1.2 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.802 0.334 . . . . 0.0 111.128 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -121.83 72.17 0.38 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -104.43 118.26 36.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.876 0.37 . . . . 0.0 110.874 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.434 ' HD3' ' N ' ' A' ' 11' ' ' LYS . 0.9 OUTLIER -78.97 143.54 61.88 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.561 0.696 . . . . 0.0 110.885 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -32.97 17.48 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.685 2.256 . . . . 0.0 112.325 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.505 ' CE1' ' HG3' ' A' ' 25' ' ' ARG . 57.8 m-85 -102.63 143.85 31.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -150.3 155.98 40.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.856 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.3 t -92.97 131.3 38.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.14 -3.34 58.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.566 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 21.7 mp0 -88.64 -59.38 2.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.851 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.1 p -104.7 -49.55 3.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.56 39.99 0.59 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.447 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 50.4 tttt -89.64 149.79 22.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.418 ' HB1' ' CE ' ' A' ' 11' ' ' LYS . . . -98.85 139.54 34.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.093 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.448 ' CD1' HD11 ' A' ' 28' ' ' LEU . 51.7 m-85 -135.88 147.68 48.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.8 t -94.89 -20.88 19.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.144 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -139.25 139.19 37.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.505 ' HG3' ' CE1' ' A' ' 13' ' ' TYR . 31.6 mtt85 -50.51 -53.4 30.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.4 t -40.9 -53.64 2.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -57.11 -43.65 82.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.448 HD11 ' CD1' ' A' ' 22' ' ' PHE . 34.1 tp -61.62 -48.59 80.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -54.65 -44.16 73.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.1 m -60.68 -38.05 83.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.482 ' CE1' HD11 ' A' ' 34' ' ' ILE . 17.8 t60 -70.11 -47.96 59.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -44.88 -21.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 31' ' ' HIS . 30.5 mttm -48.03 -47.27 33.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.482 HD11 ' CE1' ' A' ' 31' ' ' HIS . 11.5 pt -57.35 -23.91 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.059 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.566 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 96.0 m-70 -93.55 31.47 1.54 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.3 t -174.02 136.12 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.178 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -171.67 47.76 0.18 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.494 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -119.09 108.42 14.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.887 0.375 . . . . 0.0 110.907 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.412 ' NZ ' ' O ' ' A' ' 41' ' ' SER . 6.6 tmtt? -116.26 78.5 8.09 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.555 0.693 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -3.07 11.31 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.712 2.275 . . . . 0.0 112.348 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.412 ' O ' ' NZ ' ' A' ' 39' ' ' LYS . 2.8 m -85.05 43.24 0.99 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.25 66.67 0.74 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -6.8 19.49 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.685 2.256 . . . . 0.0 112.302 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.5 m -113.25 162.71 15.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 47.5 t -40.25 108.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.1 -0.833 . . . . 0.0 112.499 -179.968 . . . . . . . . 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 1.451 -0.349 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -126.3 156.46 40.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.895 0.379 . . . . 0.0 110.873 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.1 p 44.68 43.34 6.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.61 -103.09 1.04 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.497 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -58.16 175.68 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.8 p -131.96 161.36 33.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.48 -66.42 0.11 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.455 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.8 t -44.96 125.97 5.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 111.178 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.48 93.13 1.34 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -102.77 -36.95 8.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.948 0.404 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -78.12 143.93 66.37 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.577 0.703 . . . . 0.0 110.913 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.555 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.2 Cg_endo -69.8 -36.46 10.65 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.661 2.241 . . . . 0.0 112.305 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.555 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 39.7 m-85 -92.08 138.49 31.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.927 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.409 ' HD2' ' C ' ' A' ' 14' ' ' ARG . 6.1 tmm_? -144.85 143.33 30.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.3 t -75.97 124.41 27.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.815 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.28 20.79 2.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.075 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.545 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 6.5 mm-40 -118.29 -49.53 2.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.2 p -108.13 -50.5 3.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.78 43.74 0.48 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.3 tttt -104.31 161.05 14.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.813 0.34 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.95 153.5 20.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.082 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.555 ' CD1' HD13 ' A' ' 28' ' ' LEU . 90.2 m-85 -146.82 144.69 29.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.945 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 80.7 p -73.83 -43.58 58.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.111 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.401 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 3.2 t0 -125.3 154.73 41.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.519 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 23.4 ptt-85 -62.1 -34.55 76.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.0 t -57.09 -50.88 71.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -58.44 -35.45 72.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.555 HD13 ' CD1' ' A' ' 22' ' ' PHE . 44.7 tp -67.0 -53.1 34.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -52.03 -45.18 64.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 59.1 m -61.33 -33.05 72.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.153 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.407 ' C ' ' N ' ' A' ' 33' ' ' LYS . 12.1 t60 -73.78 -49.5 25.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -44.38 -22.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.407 ' N ' ' C ' ' A' ' 31' ' ' HIS . 57.8 mttm -49.96 -39.64 41.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.454 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -64.03 -25.02 37.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.545 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 78.5 m-70 -80.56 -74.98 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 37' ' ' GLY . 2.6 t -46.67 -37.98 9.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 36' ' ' THR . . . 37.86 -144.58 0.18 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.499 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -124.42 155.55 38.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.897 0.38 . . . . 0.0 110.879 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.24 143.93 51.38 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.545 0.688 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 136.11 32.06 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.669 2.246 . . . . 0.0 112.319 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.5 t -98.75 77.36 2.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.53 -158.17 16.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -3.36 11.83 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.669 2.246 . . . . 0.0 112.397 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.9 t -87.47 137.18 32.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.1 t -118.31 43.77 2.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 CA-C-O 119.173 -0.793 . . . . 0.0 112.477 -179.965 . . . . . . . . 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 -0.335 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.3 m -98.91 110.21 22.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.884 0.373 . . . . 0.0 110.822 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -132.54 144.91 50.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.843 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.53 -140.45 2.89 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 6' ' ' SER . 25.3 p -118.91 156.66 29.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.9 0.381 . . . . 0.0 110.887 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 5' ' ' SER . 44.4 t -36.38 -50.11 0.74 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.834 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.26 121.44 6.32 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.453 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.3 m -57.56 -55.96 28.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.816 0.341 . . . . 0.0 111.171 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.0 116.8 0.8 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.51 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -98.9 28.16 4.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.952 0.406 . . . . 0.0 110.877 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.445 ' HE3' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -93.46 154.66 41.25 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.527 0.68 . . . . 0.0 110.916 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -31.96 19.58 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.698 2.265 . . . . 0.0 112.374 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.553 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 81.2 m-85 -99.48 151.55 21.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.419 ' C ' ' HD2' ' A' ' 14' ' ' ARG . 1.6 tmm_? -155.1 145.77 22.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.2 t -84.61 114.1 21.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.98 -8.07 50.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.03 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.477 ' HG3' ' CG ' ' A' ' 35' ' ' HIS . 17.1 mm-40 -82.74 -62.39 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.2 p -100.93 -48.57 4.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.23 23.67 1.92 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.512 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 74.6 mttt -76.26 161.71 28.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.774 0.321 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.64 148.89 31.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -145.55 135.37 23.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.829 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.9 p -72.82 -41.08 65.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.147 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -119.55 143.42 47.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.553 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 11.6 tpt180 -56.56 -52.98 62.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.1 p -40.48 -42.68 1.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -64.97 -51.04 63.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.9 tp -50.31 -47.31 55.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -55.56 -45.63 77.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.7 m -57.15 -33.07 67.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.512 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 47.2 t60 -79.83 -42.85 23.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.829 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -51.15 -17.42 0.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -51.88 -45.66 64.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -63.98 -12.23 11.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.078 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.477 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 78.4 m-70 -99.01 -48.71 4.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.461 ' O ' ' CG2' ' A' ' 36' ' ' THR . 1.4 t -90.14 124.47 34.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 130.11 -171.92 20.35 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.445 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -133.13 133.86 43.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.889 0.376 . . . . 0.0 110.914 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.15 144.27 29.08 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.559 0.695 . . . . 0.0 110.947 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 110.16 2.48 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.373 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.3 t -45.87 -64.82 0.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.12 146.58 8.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -0.56 7.1 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.688 2.259 . . . . 0.0 112.291 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 52.1 p -121.83 177.23 5.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.87 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.4 m -152.15 114.57 4.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.461 179.99 . . . . . . . . 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 -0.323 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.2 p -157.93 140.57 14.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 0.0 110.876 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.2 p -138.83 166.7 23.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.6 78.17 1.36 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.465 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 p -102.98 99.65 9.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.932 0.396 . . . . 0.0 110.823 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.2 t -114.56 133.07 56.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.06 44.03 3.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.3 t -113.85 40.67 2.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.857 0.36 . . . . 0.0 111.144 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 165.33 48.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.499 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -115.94 -32.22 5.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.933 0.397 . . . . 0.0 110.875 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.438 ' HE3' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -65.63 143.91 98.75 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.62 0.724 . . . . 0.0 110.887 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.411 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.1 Cg_endo -69.73 -24.08 30.23 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.742 2.294 . . . . 0.0 112.328 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.411 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 87.8 m-85 -111.11 158.44 18.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -163.11 133.52 4.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.7 t -68.03 105.44 2.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.04 -10.27 13.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.95 -62.17 1.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.7 p -96.94 -48.1 5.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.05 33.05 1.09 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.495 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 20.9 mttp -79.7 -178.76 6.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.783 0.325 . . . . 0.0 110.885 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.12 134.97 47.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.079 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -136.92 151.39 49.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.7 m -86.42 -44.73 11.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.133 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -117.02 147.14 42.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.526 ' HG2' ' CD1' ' A' ' 29' ' ' PHE . 49.2 ttp180 -56.94 -48.05 79.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.2 m -45.37 -48.47 13.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -60.38 -43.59 96.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.4 tp -62.4 -59.3 5.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.526 ' CD1' ' HG2' ' A' ' 25' ' ' ARG . 6.8 m-85 -42.82 -43.54 4.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.6 m -60.33 -38.85 85.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.502 ' CE1' HD11 ' A' ' 34' ' ' ILE . 30.3 t60 -74.36 -50.27 19.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -42.14 -23.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 31' ' ' HIS . 90.1 mttt -49.89 -49.18 50.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.502 HD11 ' CE1' ' A' ' 31' ' ' HIS . 6.0 pt -56.23 -17.25 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -97.72 -51.28 4.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.9 t -85.49 45.51 1.2 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.36 52.79 0.78 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.1 tp10 -110.59 120.26 41.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.968 0.413 . . . . 0.0 110.899 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.7 146.96 72.92 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.594 0.711 . . . . 0.0 110.907 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 -37.71 8.91 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.73 2.287 . . . . 0.0 112.335 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.4 m -145.53 146.75 31.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 150.31 81.13 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 87.02 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.645 2.23 . . . . 0.0 112.365 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.7 m -162.24 140.64 8.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.1 t -130.98 142.9 50.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.181 -0.788 . . . . 0.0 112.529 179.962 . . . . . . . . 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 -0.342 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.7 m -72.57 -62.17 1.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.934 0.397 . . . . 0.0 110.89 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -118.28 165.89 13.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.73 72.76 0.33 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t -91.73 42.23 1.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.88 0.371 . . . . 0.0 110.86 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.7 m -102.13 42.28 1.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.841 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.5 100.51 1.56 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.5 m -128.87 95.93 4.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.871 0.367 . . . . 0.0 111.119 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 137.97 140.96 4.11 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.465 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -115.71 -38.76 3.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.947 0.404 . . . . 0.0 110.902 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -114.54 154.03 46.64 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.588 0.709 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -26.48 27.26 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.642 2.228 . . . . 0.0 112.324 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.559 ' CE1' ' HG3' ' A' ' 25' ' ' ARG . 85.7 m-85 -107.24 142.16 37.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -141.86 142.57 33.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.3 t -76.32 117.02 17.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.0 31.24 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.56 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 25.9 mt-10 -129.06 -43.55 1.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.7 p -119.1 -49.26 2.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.09 59.11 0.25 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.46 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.0 tttm -114.27 169.41 9.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.766 0.317 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.97 140.91 48.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.056 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.456 ' CD2' HD13 ' A' ' 28' ' ' LEU . 98.8 m-85 -141.07 134.8 30.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.7 t -72.42 -30.44 64.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -138.08 160.52 39.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.559 ' HG3' ' CE1' ' A' ' 13' ' ' TYR . 27.0 mtt85 -62.23 -58.94 5.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 25' ' ' ARG . 30.7 t -34.47 -52.26 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -60.38 -43.55 96.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 25' ' ' ARG . 22.9 tp -62.81 -51.62 66.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -54.9 -41.2 70.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.2 m -60.22 -38.5 83.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.18 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 33' ' ' LYS . 20.1 t60 -73.12 -54.78 7.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 31' ' ' HIS . 32.5 mt-30 -35.95 -30.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 31' ' ' HIS . 63.8 mttm -47.74 -48.63 29.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.461 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -44.33 -25.28 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.56 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 72.4 m-70 -82.51 -37.97 24.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 33' ' ' LYS . 15.1 t -121.25 37.97 4.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.173 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . -91.57 41.96 2.83 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.45 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 37' ' ' GLY . 20.0 tt0 34.89 43.89 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.908 0.385 . . . . 0.0 110.888 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.8 mmtm -95.55 143.02 25.4 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.556 0.693 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -174.31 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.636 2.224 . . . . 0.0 112.357 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.1 p -115.41 152.86 32.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.857 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.78 175.13 22.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.493 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 86.61 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.623 2.216 . . . . 0.0 112.389 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.1 t -74.31 118.18 16.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.4 t -174.08 144.45 0.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.836 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.45 -179.993 . . . . . . . . 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 1.451 -0.314 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.9 p -152.61 119.93 5.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.894 0.378 . . . . 0.0 110.852 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.2 p -153.56 124.11 7.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.57 63.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.3 p -86.62 -45.71 10.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.887 0.375 . . . . 0.0 110.858 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.3 p -96.54 121.47 38.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.04 55.17 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.5 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.8 p -139.81 147.3 40.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.862 0.363 . . . . 0.0 111.093 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 152.6 -62.93 0.38 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.491 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 63.55 48.22 3.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.919 0.39 . . . . 0.0 110.873 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -80.5 143.88 56.12 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.588 0.709 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.512 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.78 -26.49 27.44 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.629 2.219 . . . . 0.0 112.348 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.55 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 41.1 m-85 -117.92 153.95 32.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.3 ttm105 -158.52 151.93 23.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.4 t -83.13 127.39 33.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -89.54 30.13 1.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -129.82 -51.08 1.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.2 p -109.09 -47.57 3.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.16 40.75 0.67 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.508 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.565 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 45.0 mttm -89.36 157.55 18.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.854 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.01 135.69 50.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -131.03 159.71 36.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.1 p -93.39 -42.1 9.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -116.47 153.47 32.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.55 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 27.7 ttp180 -63.26 -52.56 61.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.9 t -44.21 -46.67 9.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -62.11 -42.93 99.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.402 ' CD2' ' HB3' ' A' ' 13' ' ' TYR . 32.3 tp -61.52 -54.37 44.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -51.82 -49.39 62.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.481 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 42.1 m -54.83 -36.32 64.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.565 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 36.0 t60 -68.43 -54.12 19.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.835 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -45.49 -22.35 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.481 ' CG ' ' O ' ' A' ' 30' ' ' THR . 36.2 mmtt -49.92 -42.17 47.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.8 pt -61.45 -24.16 32.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.113 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -90.96 -50.4 5.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.5 t -118.47 134.36 55.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 163.11 -179.37 38.36 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.472 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -109.05 26.21 10.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.937 0.399 . . . . 0.0 110.881 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.2 mtmm -144.48 143.93 23.45 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.572 0.701 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 41' ' ' SER . 53.3 Cg_endo -69.76 -49.48 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.65 2.233 . . . . 0.0 112.291 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 40' ' ' PRO . 85.8 p 34.55 43.45 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -108.04 83.42 0.33 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -172.18 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.642 2.228 . . . . 0.0 112.367 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 45' ' ' SER . 1.1 t -72.83 146.41 46.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 44' ' ' SER . 8.0 t -36.86 145.3 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.465 -179.954 . . . . . . . . 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 1.451 -0.341 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -146.22 133.11 20.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.804 0.335 . . . . 0.0 110.89 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -132.74 108.62 9.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.28 87.83 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 t -84.6 -47.97 9.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.897 0.38 . . . . 0.0 110.851 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.0 p -85.23 113.54 21.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.847 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.89 47.47 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.497 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.0 p -114.47 42.12 2.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.8 0.333 . . . . 0.0 111.131 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -145.76 129.74 3.52 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.53 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -86.76 91.44 8.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.909 0.385 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' A' ' 23' ' ' THR . 0.0 OUTLIER -68.0 144.67 97.28 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.601 0.715 . . . . 0.0 110.879 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.422 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.8 -26.95 26.87 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.718 2.278 . . . . 0.0 112.306 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.497 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 83.5 m-85 -102.94 150.54 23.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -151.38 139.28 19.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.5 t -77.54 118.93 20.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.419 ' C ' ' OE1' ' A' ' 17' ' ' GLU . . . -81.37 13.89 2.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.419 ' OE1' ' C ' ' A' ' 16' ' ' ALA . 1.0 OUTLIER -108.32 -50.07 3.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.5 p -111.73 -45.66 3.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.82 32.78 1.37 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.519 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.475 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 19.4 mtpp -84.23 166.35 17.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.781 0.324 . . . . 0.0 110.897 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.64 133.03 56.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.103 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.408 ' C ' ' HG2' ' A' ' 11' ' ' LYS . 84.6 m-85 -132.37 128.05 36.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.433 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 68.3 p -66.73 -39.41 87.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -112.91 166.31 11.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.497 ' HB2' ' CZ ' ' A' ' 13' ' ' TYR . 40.1 ttt180 -80.65 -53.62 6.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 t -42.67 -45.57 4.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -59.75 -42.3 92.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.7 tp -61.12 -59.4 5.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -43.37 -49.13 7.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.992 0.425 . . . . 0.0 110.928 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 89.6 m -58.2 -39.04 77.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.134 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.475 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 46.9 t60 -70.65 -45.2 65.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -49.8 -18.11 0.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -52.0 -46.33 64.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.0 pt -60.12 -9.67 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -107.01 -54.47 2.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -50.98 118.6 3.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.166 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 152.54 165.35 13.18 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -79.81 141.25 36.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -157.77 148.05 15.78 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.583 0.706 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 89.62 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.691 2.26 . . . . 0.0 112.386 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.3 t -58.03 167.14 1.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.802 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 142.11 158.97 7.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 85.78 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.638 2.225 . . . . 0.0 112.369 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -139.14 165.66 26.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.7 m -145.02 164.9 29.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.494 179.996 . . . . . . . . 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 -0.34 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t 62.85 41.94 8.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.936 0.398 . . . . 0.0 110.87 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.1 t -98.57 118.14 34.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.831 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.45 -78.02 0.22 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.7 p 39.58 43.18 1.03 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.838 0.352 . . . . 0.0 110.874 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.0 m -142.64 143.23 32.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.45 -154.63 7.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.51 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 67.1 p -41.94 111.6 0.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.817 0.341 . . . . 0.0 111.138 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -169.06 52.77 0.21 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.466 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.3 tp10 -100.08 107.12 18.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.923 0.392 . . . . 0.0 110.893 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.422 ' CG ' ' HB1' ' A' ' 21' ' ' ALA . 64.2 mmtt -85.87 152.1 55.99 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.547 0.689 . . . . 0.0 110.945 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.475 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.5 Cg_endo -69.76 -27.12 26.83 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.685 2.257 . . . . 0.0 112.331 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.475 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 47.3 m-85 -110.69 134.34 52.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.9 ttm105 -134.35 155.81 49.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.9 t -88.59 126.06 35.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.08 25.9 1.49 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.071 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.558 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 12.1 mm-40 -122.35 -47.36 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.868 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.2 p -117.67 -49.23 2.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.84 42.36 0.41 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.453 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 13.6 mtpp -92.11 158.45 16.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.802 0.334 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.422 ' HB1' ' CG ' ' A' ' 11' ' ' LYS . . . -104.07 139.53 39.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.133 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.439 ' CD1' HD11 ' A' ' 28' ' ' LEU . 72.5 m-85 -140.42 129.72 23.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.5 t -82.02 -21.92 36.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.181 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -126.04 142.96 51.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.3 ttp-105 -61.3 -56.26 22.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.0 t -44.77 -40.15 5.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -63.62 -47.99 79.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.439 HD11 ' CD1' ' A' ' 22' ' ' PHE . 40.6 tp -60.45 -58.01 10.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -49.39 -38.36 28.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 62.6 m -66.5 -34.76 78.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.136 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.453 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 8.7 t60 -76.0 -47.2 25.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.832 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -42.67 -23.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 31' ' ' HIS . 38.6 mtmt -51.8 -41.18 61.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.9 pt -56.48 -18.91 7.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.159 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.558 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 97.2 m-70 -96.93 -65.52 0.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 35' ' ' HIS . 9.6 t 34.05 42.1 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.51 101.65 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.478 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -58.94 137.95 57.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.909 0.385 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.83 148.05 12.17 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.602 0.715 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 41' ' ' SER . 53.2 Cg_endo -69.82 153.4 68.69 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.661 2.241 . . . . 0.0 112.355 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 40' ' ' PRO . 1.6 t -37.14 114.29 0.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -168.43 70.27 0.16 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.465 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 152.14 69.27 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.652 2.235 . . . . 0.0 112.351 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.9 m -125.64 93.77 3.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.0 m -106.79 171.66 7.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.499 -179.984 . . . . . . . . 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 -0.329 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.7 p -115.83 141.88 47.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.861 0.362 . . . . 0.0 110.808 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 m -88.14 -55.66 3.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.93 177.63 18.34 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.505 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.5 m -44.76 113.02 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.1 p -89.26 111.76 22.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.83 148.89 0.1 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.2 p -119.57 90.73 3.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.847 0.356 . . . . 0.0 111.103 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 160.69 74.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.483 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -93.7 118.73 31.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.934 0.397 . . . . 0.0 110.89 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.422 ' HD2' ' CB ' ' A' ' 21' ' ' ALA . 26.4 mttm -87.02 158.13 53.33 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.54 0.686 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -36.98 9.71 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.649 2.233 . . . . 0.0 112.343 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.603 ' CE1' ' CG ' ' A' ' 25' ' ' ARG . 74.5 m-85 -94.26 141.58 28.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.938 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.404 ' HD3' ' C ' ' A' ' 15' ' ' CYS . 0.4 OUTLIER -146.11 135.3 22.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.937 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.404 ' C ' ' HD3' ' A' ' 14' ' ' ARG . 6.2 t -73.63 109.19 6.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.15 -14.89 54.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.067 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -75.78 -66.09 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.3 p -98.52 -49.13 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.2 31.74 1.05 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.1 mtpp -73.37 -177.85 2.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.738 0.304 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.422 ' CB ' ' HD2' ' A' ' 11' ' ' LYS . . . -131.97 134.81 46.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -139.72 138.95 36.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.7 t -81.41 -25.79 35.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -131.97 149.33 52.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.603 ' CG ' ' CE1' ' A' ' 13' ' ' TYR . 18.0 mtt-85 -58.04 -56.63 19.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 25' ' ' ARG . 15.4 t -37.78 -53.85 1.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -57.96 -40.57 80.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 25' ' ' ARG . 23.2 tp -65.12 -48.34 73.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -54.59 -43.26 71.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 59.0 m -60.59 -33.59 72.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.439 ' CE1' HD11 ' A' ' 34' ' ' ILE . 9.0 t60 -79.18 -49.23 12.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -43.16 -22.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 31' ' ' HIS . 45.8 mtmt -52.49 -40.5 62.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.481 HD12 ' CE1' ' A' ' 35' ' ' HIS . 5.8 pt -57.0 -12.33 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.481 ' CE1' HD12 ' A' ' 34' ' ' ILE . 95.6 m-70 -113.11 -54.1 2.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 p -58.48 91.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.089 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.4 71.76 0.32 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -133.64 86.74 2.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.929 0.395 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.445 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 8.4 mmtp 44.71 53.88 11.92 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.585 0.707 . . . . 0.0 110.874 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.445 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 54.2 Cg_endo -69.73 -0.23 6.58 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.391 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 40' ' ' PRO . 34.2 p -36.94 -57.23 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.52 170.17 17.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.492 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 124.1 10.74 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.705 2.27 . . . . 0.0 112.33 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.0 m -109.08 44.32 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.3 t -155.57 175.5 13.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.813 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.47 179.993 . . . . . . . . 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 -0.335 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.9 t -79.53 89.28 5.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.877 0.37 . . . . 0.0 110.889 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -83.0 -47.27 11.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.888 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.76 43.84 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.4 m -115.17 173.24 6.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.857 0.36 . . . . 0.0 110.858 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.5 p -142.76 113.31 7.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.858 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.42 40.05 0.21 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.466 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.1 p -70.24 119.51 14.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.803 0.335 . . . . 0.0 111.168 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -157.4 99.18 0.18 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -106.47 67.81 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.923 0.392 . . . . 0.0 110.901 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.57 153.71 54.23 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.613 0.721 . . . . 0.0 110.842 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -40.49 5.25 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.698 2.265 . . . . 0.0 112.369 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -88.21 148.45 24.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -153.39 140.03 18.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 17' ' ' GLU . 11.4 t -83.13 78.89 9.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.03 -23.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 15' ' ' CYS . 8.2 mm-40 -60.95 -54.59 43.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.9 p -108.64 -42.22 4.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.91 36.71 0.94 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.543 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -89.13 -179.79 5.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.774 0.321 . . . . 0.0 110.944 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.88 133.98 40.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.056 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -135.37 136.78 41.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.4 t -75.62 -28.77 58.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -122.84 158.31 30.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -74.9 -44.86 46.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.6 t -50.1 -55.2 15.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -55.59 -41.29 73.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.0 tp -59.2 -49.5 77.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -54.07 -48.32 70.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.831 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 98.0 m -55.16 -33.94 63.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.48 ' CE1' HD11 ' A' ' 34' ' ' ILE . 24.2 t60 -74.97 -41.21 60.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.88 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -52.83 -15.96 0.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.45 ' HA ' ' CG2' ' A' ' 36' ' ' THR . 22.9 mtmt -58.27 -20.39 41.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.48 HD11 ' CE1' ' A' ' 31' ' ' HIS . 22.3 pt -79.51 -10.8 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.146 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 36' ' ' THR . 66.2 m-70 -117.44 -58.6 2.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.821 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.45 ' CG2' ' HA ' ' A' ' 33' ' ' LYS . 57.7 p 33.83 39.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 125.34 86.48 0.65 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.49 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -55.39 118.28 4.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.957 0.408 . . . . 0.0 110.873 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.5 mmtm -130.45 143.09 47.85 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.59 0.709 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 84.85 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.701 2.267 . . . . 0.0 112.355 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.0 p -107.94 43.41 1.21 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 44.56 -158.19 0.18 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.464 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 142.19 47.23 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.73 2.286 . . . . 0.0 112.303 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.6 m -93.23 124.69 37.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.8 p -160.19 170.85 20.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.479 -179.96 . . . . . . . . 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 1.451 -0.317 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.0 m -124.38 147.98 47.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 0.0 110.896 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -111.11 138.32 47.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.28 148.89 1.01 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.497 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.0 p -132.42 94.52 3.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.828 0.347 . . . . 0.0 110.856 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.1 p -112.18 141.54 45.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.15 102.95 0.23 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.484 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.5 t -98.11 79.18 2.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 111.2 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 140.37 133.0 2.92 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -92.01 91.33 7.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.893 0.377 . . . . 0.0 110.896 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.409 ' CG ' HG21 ' A' ' 23' ' ' THR . 10.6 mptt -71.43 159.15 86.37 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.551 0.691 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -27.58 26.19 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.688 2.259 . . . . 0.0 112.342 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.553 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 68.7 m-85 -103.43 162.14 13.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -161.99 133.17 5.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 19' ' ' GLY . 7.4 t -84.66 81.97 8.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.75 -26.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.079 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.552 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 6.2 mp0 -57.26 -61.78 2.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.8 p -105.78 -39.47 6.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 114.49 33.5 1.74 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.456 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.5 mttt -87.55 157.08 19.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.785 0.326 . . . . 0.0 110.895 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.89 129.62 55.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.4 ' CD2' ' HA ' ' A' ' 28' ' ' LEU . 27.9 m-85 -125.41 135.9 52.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.409 HG21 ' CG ' ' A' ' 11' ' ' LYS . 60.3 p -77.21 -37.83 52.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.181 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -117.94 146.66 43.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.553 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 28.6 ttp180 -63.08 -56.46 16.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 77.6 p -41.05 -43.63 2.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.0 m-20 -64.24 -44.01 93.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.4 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 19.3 tp -58.64 -58.11 10.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -45.54 -45.26 13.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 86.8 m -57.19 -43.07 82.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.097 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 33' ' ' LYS . 32.7 t60 -65.74 -53.93 34.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -38.57 -26.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' HIS . 26.2 mtmt -46.93 -49.53 20.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.459 HG13 ' N ' ' A' ' 35' ' ' HIS . 8.5 pt -51.31 -26.43 5.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.552 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 91.1 m-70 -86.09 -51.17 6.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.819 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.9 t -81.43 128.22 33.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -111.23 -140.24 8.21 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -103.82 40.65 1.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.931 0.396 . . . . 0.0 110.911 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.9 pttp -126.82 143.93 48.34 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.546 0.688 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 128.35 15.93 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.673 2.249 . . . . 0.0 112.392 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 53.2 p -102.43 91.77 4.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.836 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -51.62 146.22 12.86 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 175.31 8.29 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.685 2.257 . . . . 0.0 112.348 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 45' ' ' SER . 54.2 m -99.13 166.92 11.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 44' ' ' SER . 41.2 t -36.67 -46.82 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 CA-C-O 119.132 -0.815 . . . . 0.0 112.491 -179.978 . . . . . . . . 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 -0.322 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 p -68.29 121.44 16.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.874 0.369 . . . . 0.0 110.845 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.9 t -86.15 -47.05 9.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.51 54.61 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.674 -0.775 . . . . 0.0 112.421 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 6' ' ' SER . 5.9 t -87.84 41.54 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 110.85 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 5' ' ' SER . 98.6 p -35.15 104.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.35 -72.7 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.7 t -60.44 121.44 12.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.827 0.346 . . . . 0.0 111.121 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 136.01 -32.78 2.47 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -93.45 113.8 26.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.901 0.381 . . . . 0.0 110.874 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -105.77 154.13 39.53 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.562 0.696 . . . . 0.0 110.916 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.413 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.5 Cg_endo -69.8 -17.2 37.55 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.702 2.268 . . . . 0.0 112.302 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.56 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 87.1 m-85 -117.88 122.99 44.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -125.83 139.39 53.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.6 t -76.33 122.93 25.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.1 30.43 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.567 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 17.4 mm-40 -126.76 -51.09 1.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.7 p -113.66 -49.02 2.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.01 27.8 0.99 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.425 ' HA ' ' NZ ' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -82.01 150.54 27.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.815 0.34 . . . . 0.0 110.909 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.33 144.37 35.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.057 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -140.33 136.6 33.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 t -67.32 -38.8 85.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -112.35 169.51 8.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.56 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 5.9 ttm105 -87.73 -45.29 10.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.5 m -49.44 -47.03 48.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.804 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -61.83 -43.54 98.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.6 tp -55.02 -58.25 8.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -47.42 -39.54 15.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 92.7 m -64.88 -37.57 88.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -70.72 -35.76 72.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -55.13 -14.08 1.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -57.55 -24.08 54.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.415 HD12 ' NE2' ' A' ' 35' ' ' HIS . 25.6 pt -75.99 -10.51 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.567 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 77.2 m-70 -117.9 -66.19 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.2 p 47.06 36.75 4.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.76 -161.17 28.11 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.458 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -84.23 120.04 25.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.949 0.404 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -63.55 143.99 97.81 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.583 0.706 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 143.97 52.38 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.327 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.7 t -139.19 141.18 37.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 160.42 -75.51 0.19 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -8.89 24.76 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.707 2.271 . . . . 0.0 112.302 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.1 m -49.08 122.4 5.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 52.4 p -139.72 154.21 47.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.813 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.477 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 3' ' ' SER . 58.0 m -154.73 176.58 12.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.859 -179.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 2' ' ' SER . 6.2 m -35.07 -60.48 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 44.46 -124.63 5.71 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.515 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p -91.42 107.71 19.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.902 0.382 . . . . 0.0 110.806 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.5 t -114.43 114.34 25.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.21 155.78 13.76 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.484 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.0 p -70.03 -41.64 74.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.819 0.342 . . . . 0.0 111.131 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 137.37 111.5 1.06 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.484 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -118.64 85.85 2.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.925 0.393 . . . . 0.0 110.894 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.0 mttt -145.55 157.5 51.94 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.562 0.696 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.533 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.78 -27.22 26.66 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.682 2.255 . . . . 0.0 112.326 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.533 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 37.0 m-85 -108.1 153.3 23.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.974 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.407 ' CG ' ' O ' ' A' ' 20' ' ' LYS . 44.7 ttp180 -156.54 151.78 26.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.6 t -83.96 122.27 28.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.02 29.91 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.112 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -125.19 -53.97 1.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.5 p -106.79 -43.14 4.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.04 38.8 0.85 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.407 ' O ' ' CG ' ' A' ' 14' ' ' ARG . 57.1 tttm -94.38 162.48 13.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.813 0.339 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.12 144.05 40.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.117 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -139.42 132.65 29.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 t -67.79 -32.61 73.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.158 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.496 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 13.7 t70 -124.81 170.9 10.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.44 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 8.4 tpp85 -87.32 -47.77 8.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.4 p -44.77 -42.42 7.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.803 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -69.05 -43.53 74.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.8 tp -54.3 -47.48 72.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -53.98 -47.84 70.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 99.8 m -55.67 -41.37 73.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.418 ' C ' ' N ' ' A' ' 33' ' ' LYS . 46.8 t60 -66.68 -47.86 71.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -43.57 -22.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.418 ' N ' ' C ' ' A' ' 31' ' ' HIS . 52.9 mtmt -51.27 -48.31 62.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.413 HD11 ' NE2' ' A' ' 35' ' ' HIS . 5.9 pt -60.65 -9.24 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.413 ' NE2' HD11 ' A' ' 34' ' ' ILE . 94.3 m-70 -113.01 -11.96 13.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.82 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.9 p -91.74 47.94 1.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -178.4 -72.76 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.487 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -136.86 117.11 13.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.907 0.384 . . . . 0.0 110.929 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.7 ptpt -92.92 140.56 23.54 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.622 0.725 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -37.46 9.09 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.704 2.269 . . . . 0.0 112.3 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 62.8 p -43.31 163.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.836 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -153.45 -95.05 0.11 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 100.6 0.83 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.676 2.251 . . . . 0.0 112.333 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.6 m -156.03 167.5 30.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.6 p -155.09 175.68 13.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.513 -179.952 . . . . . . . . 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 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 t -121.78 154.28 37.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.841 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -111.62 167.19 10.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.825 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.75 -152.6 25.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.9 m -136.44 132.42 35.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.92 0.391 . . . . 0.0 110.879 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.1 p -152.42 145.03 24.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.856 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.93 75.49 1.49 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.3 p -136.29 171.92 13.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.815 0.34 . . . . 0.0 111.168 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.11 -174.83 21.7 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.444 ' HG2' ' N ' ' A' ' 11' ' ' LYS . 33.8 tt0 -139.23 153.45 47.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.875 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.444 ' N ' ' HG2' ' A' ' 10' ' ' GLU . 12.9 mptt -96.2 150.81 37.66 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.573 0.702 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -38.94 7.03 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.676 2.251 . . . . 0.0 112.366 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.517 ' CE1' ' HB3' ' A' ' 25' ' ' ARG . 51.5 m-85 -93.85 149.16 21.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.5 tpp85 -148.22 142.16 25.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.0 t -79.55 109.76 14.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.8 -0.84 7.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.069 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -90.41 -64.46 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -101.34 -48.26 4.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.52 55.42 0.26 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.487 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.423 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 31.4 tttt -109.67 151.91 26.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.788 0.328 . . . . 0.0 110.854 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.48 142.21 29.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.423 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 98.4 m-85 -138.56 123.38 18.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.1 t -67.95 -22.32 65.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.173 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -139.69 126.3 20.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.517 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 25.6 ptt180 -47.37 -41.4 19.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.8 p -46.63 -46.32 19.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -65.27 -43.35 91.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 44.2 tp -52.98 -55.7 21.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.959 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -47.19 -48.66 23.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 97.1 m -56.14 -33.63 65.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.151 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.494 ' O ' ' N ' ' A' ' 33' ' ' LYS . 38.1 t60 -76.08 -51.6 11.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -38.86 -26.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 31' ' ' HIS . 8.6 mtmp? -49.73 -48.6 49.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.853 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.439 HD12 ' CE1' ' A' ' 31' ' ' HIS . 6.1 pt -58.49 -17.9 10.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.079 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -95.87 -73.39 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.7 t -46.85 -20.18 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.182 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -38.21 -57.4 1.75 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.507 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -80.6 112.65 18.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.966 0.412 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.471 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 60.8 tttt -73.94 139.6 76.72 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.566 0.698 . . . . 0.0 110.924 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.471 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.7 Cg_endo -69.72 84.94 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.749 2.3 . . . . 0.0 112.307 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.3 p -66.79 141.83 57.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.9 146.42 9.15 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.46 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -35.79 11.95 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.339 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 77.4 p -134.67 127.67 31.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.829 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.0 t -81.19 -53.86 6.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.879 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.152 -0.805 . . . . 0.0 112.473 -179.997 . . . . . . . . 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 -0.318 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 m -160.4 145.52 14.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.868 0.366 . . . . 0.0 110.89 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.1 m -132.02 151.41 51.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.82 -48.49 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.491 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -82.64 80.81 8.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.866 0.365 . . . . 0.0 110.904 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 t -167.42 155.6 9.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.847 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.63 165.48 10.44 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.5 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 22.7 p -128.62 40.06 3.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.874 0.369 . . . . 0.0 111.183 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 162.63 98.64 0.13 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.475 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -135.65 167.2 21.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.906 0.384 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' A' ' 23' ' ' THR . 6.3 mptt -67.64 153.91 94.21 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.55 0.69 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -28.06 25.75 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.755 2.303 . . . . 0.0 112.315 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 73.2 m-85 -102.4 161.51 13.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.411 ' HD2' ' C ' ' A' ' 14' ' ' ARG . 2.0 tmm_? -167.13 135.36 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.827 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.5 t -75.36 120.62 21.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.51 0.23 30.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.117 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.507 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 52.5 mm-40 -92.6 -50.18 5.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.7 p -108.56 -46.41 3.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.861 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.23 27.23 3.21 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.451 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.444 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 51.2 tttt -84.41 158.22 21.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.753 0.311 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.33 145.23 29.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.098 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.444 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 98.2 m-85 -143.0 124.94 15.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.433 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 9.5 t -68.33 -31.73 71.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.145 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -121.65 151.49 40.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.564 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 63.6 ttp85 -69.76 -54.47 13.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.7 m -40.12 -48.57 2.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -59.29 -45.34 91.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.0 tp -56.02 -60.74 3.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -49.2 -41.78 38.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 97.8 m -64.48 -33.2 75.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.162 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.45 ' O ' ' N ' ' A' ' 33' ' ' LYS . 9.2 t60 -73.83 -48.34 31.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -40.57 -25.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 31' ' ' HIS . 35.2 mtmt -51.12 -44.09 61.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.451 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -51.49 -25.12 4.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.137 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.507 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 82.7 m-70 -83.06 -75.03 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.0 t -44.86 -29.52 0.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.13 106.81 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.523 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -112.04 78.6 1.14 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.892 0.377 . . . . 0.0 110.845 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -148.62 140.97 14.87 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.545 0.688 . . . . 0.0 110.967 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -50.74 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.654 2.236 . . . . 0.0 112.329 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -174.04 125.91 0.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -151.13 82.75 0.18 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.476 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -4.29 13.74 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.677 2.251 . . . . 0.0 112.335 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.8 m -100.16 89.16 3.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.6 t -109.57 -54.11 2.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.161 -0.799 . . . . 0.0 112.487 -179.96 . . . . . . . . 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 -0.308 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -161.48 160.51 29.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.881 0.372 . . . . 0.0 110.868 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 m -107.94 -53.17 2.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.813 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.66 -124.23 0.76 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.8 m -67.39 82.79 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 110.849 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -60.45 -49.84 75.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.816 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 45.85 80.29 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.477 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 75.1 p -74.62 -51.95 13.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.858 0.361 . . . . 0.0 111.16 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 172.26 141.43 3.41 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -81.24 -31.54 33.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 110.843 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -37.99 138.98 0.64 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.571 0.7 . . . . 0.0 110.914 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.508 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.77 -32.21 19.0 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.707 2.271 . . . . 0.0 112.325 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.508 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 47.1 m-85 -95.47 143.08 27.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.0 ttt85 -145.88 147.44 31.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 19' ' ' GLY . 6.4 t -95.3 82.48 3.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.51 -23.5 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.071 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.499 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 79.9 mm-40 -60.38 -60.45 3.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.4 p -105.55 -40.13 5.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 114.85 43.8 0.72 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.458 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -100.99 172.95 6.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.831 0.348 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.57 148.39 45.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -147.51 150.53 34.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.4 m -105.06 27.73 7.91 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -172.27 136.16 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.831 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -58.74 -50.98 71.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.5 m -51.77 -43.26 62.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -60.96 -45.06 96.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.9 tp -61.04 -59.85 4.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -49.44 -39.36 32.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 73.1 m -63.78 -39.3 93.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.173 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.472 ' O ' ' N ' ' A' ' 33' ' ' LYS . 7.7 t60 -71.26 -49.09 46.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -40.12 -25.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 31' ' ' HIS . 72.1 mttt -50.71 -44.4 58.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.424 HG13 ' CD2' ' A' ' 35' ' ' HIS . 6.3 pt -50.41 -21.05 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.499 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 79.2 m-70 -88.28 -42.31 12.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.41 ' O ' ' CG2' ' A' ' 36' ' ' THR . 10.1 t -102.1 79.84 1.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.52 116.75 0.4 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.537 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -114.72 147.78 39.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.912 0.387 . . . . 0.0 110.894 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -123.18 80.57 52.01 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.579 0.704 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 174.68 9.1 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.69 2.26 . . . . 0.0 112.324 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 42' ' ' GLY . 10.4 t -90.55 43.87 1.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 41' ' ' SER . . . 34.63 69.09 0.2 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -49.77 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.699 2.266 . . . . 0.0 112.328 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.0 t -107.49 -45.42 4.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.836 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t 70.65 41.63 0.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 CA-C-O 119.093 -0.837 . . . . 0.0 112.492 -179.993 . . . . . . . . 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 -0.311 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 t -106.8 -56.19 2.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.88 0.371 . . . . 0.0 110.825 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.0 p -99.36 99.97 10.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.06 -147.1 6.13 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.478 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 t -96.07 43.79 1.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.91 0.386 . . . . 0.0 110.866 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.7 m -107.02 41.99 1.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.06 59.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.484 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.6 t -69.88 145.27 52.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.81 0.338 . . . . 0.0 111.123 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.48 142.74 6.31 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.483 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -108.05 39.5 1.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.91 0.386 . . . . 0.0 110.877 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -93.48 152.53 41.03 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.559 0.695 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.51 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.5 Cg_endo -69.73 -16.49 37.7 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.647 2.232 . . . . 0.0 112.337 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.563 ' CE2' ' HA ' ' A' ' 24' ' ' ASP . 48.6 m-85 -122.3 131.04 53.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -144.05 152.25 40.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.1 t -92.06 111.43 22.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.61 -18.09 64.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.097 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.506 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 8.9 mm-40 -70.86 -59.15 2.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.9 p -100.14 -48.35 4.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.09 41.42 0.9 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.526 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -100.67 161.31 13.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.779 0.323 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.48 145.57 28.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.07 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -138.99 143.63 38.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.9 p -73.17 -46.56 50.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.151 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.563 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 3.5 p-10 -131.75 176.74 8.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.878 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.514 ' HG3' ' CE1' ' A' ' 13' ' ' TYR . 27.6 mtm180 -68.65 -59.0 3.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 25' ' ' ARG . 15.4 t -34.42 -51.07 0.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -61.39 -45.34 94.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' ARG . 40.8 tp -64.72 -59.86 3.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -47.55 -40.76 19.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 86.3 m -63.0 -40.3 97.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.112 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.491 ' O ' ' N ' ' A' ' 33' ' ' LYS . 11.1 t60 -72.09 -52.83 14.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.874 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 31' ' ' HIS . 63.3 mt-30 -36.59 -29.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 31' ' ' HIS . 42.8 mttm -47.21 -48.7 24.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.47 HG13 ' N ' ' A' ' 35' ' ' HIS . 11.3 pt -44.58 -27.22 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.091 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.506 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 91.0 m-70 -88.03 -60.2 2.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.8 t -83.65 110.55 18.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.28 -50.92 0.72 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -52.96 179.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.912 0.387 . . . . 0.0 110.884 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -61.03 150.36 78.74 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.603 0.716 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 0.7 5.25 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.656 2.237 . . . . 0.0 112.351 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 m 63.71 52.73 2.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 115.02 -179.77 18.38 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.526 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 44' ' ' SER . 54.2 Cg_endo -69.66 0.18 5.94 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.674 2.249 . . . . 0.0 112.377 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 43' ' ' PRO . 27.9 t -35.37 122.15 0.6 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.2 p -103.06 -54.38 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.132 -0.816 . . . . 0.0 112.513 -179.985 . . . . . . . . 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 -0.356 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.1 m -94.43 -60.41 1.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.901 0.382 . . . . 0.0 110.819 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.1 t 58.42 42.06 21.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -40.18 107.82 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.4 p -52.16 102.86 0.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.899 0.38 . . . . 0.0 110.827 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -110.1 133.23 53.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.908 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.16 -114.76 1.5 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.491 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.2 t -125.75 132.25 52.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.797 0.332 . . . . 0.0 111.181 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.79 82.08 0.79 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.474 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -105.76 141.22 37.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.907 0.384 . . . . 0.0 110.886 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.38 149.33 40.86 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.576 0.703 . . . . 0.0 110.916 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -33.13 17.15 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.641 2.227 . . . . 0.0 112.384 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -102.39 148.34 25.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.4 ttt85 -150.14 149.95 30.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.1 t -88.13 107.43 18.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.41 -9.1 16.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -83.16 -64.2 1.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.8 p -96.25 -48.75 5.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.38 28.84 1.88 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.463 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -80.09 170.15 16.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.34 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.2 142.52 46.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -142.2 135.76 29.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.0 p -75.92 -35.79 59.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.35 162.7 17.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -80.37 -49.92 10.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.1 m -41.42 -45.6 3.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -65.34 -51.03 63.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.1 tp -50.16 -56.54 10.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -51.31 -47.55 62.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 95.9 m -60.55 -29.27 69.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -79.66 -48.7 13.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -46.88 -19.86 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -52.99 -39.97 63.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.561 HD11 ' CE1' ' A' ' 35' ' ' HIS . 5.7 pt -60.23 -9.41 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.561 ' CE1' HD11 ' A' ' 34' ' ' ILE . 88.1 m-70 -112.47 -22.04 11.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 33.2 p -72.01 179.16 3.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.214 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.39 136.74 8.02 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.45 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -124.15 136.01 53.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.896 0.379 . . . . 0.0 110.883 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.435 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 52.3 tttt -103.24 139.4 20.08 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.573 0.701 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.435 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.8 Cg_endo -69.76 87.88 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.682 2.255 . . . . 0.0 112.357 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.8 t -167.23 110.84 0.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.07 83.19 0.19 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.506 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.7 Cg_endo -69.72 140.33 42.54 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.692 2.262 . . . . 0.0 112.329 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 43' ' ' PRO . 72.1 m -34.85 137.53 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.7 t -129.26 -42.78 1.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.826 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.496 179.984 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.768 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 11.6 mptt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 121.573 0.702 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.46 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.4 Cg_endo -69.76 -36.57 10.56 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.644 2.229 . . . . 0.0 112.396 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.46 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 60.9 m-85 -101.12 157.96 16.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -153.32 140.79 19.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.9 t -84.06 111.14 19.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.33 -3.13 18.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.093 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.406 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 57.5 mm-40 -87.69 -58.3 2.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.7 p -107.08 -48.47 3.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.17 34.22 0.84 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.2 tttp -87.21 152.86 21.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.768 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -105.89 140.26 39.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.452 ' CD1' HD13 ' A' ' 28' ' ' LEU . 81.8 m-85 -135.71 151.11 49.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.2 m -85.9 -38.81 17.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.193 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -126.41 147.98 49.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 28' ' ' LEU . 30.0 ttt180 -53.33 -57.43 10.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 25' ' ' ARG . 96.0 p -35.38 -43.62 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -64.99 -47.02 79.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 25' ' ' ARG . 64.1 tp -56.1 -56.4 21.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -52.75 -44.28 66.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 98.1 m -57.11 -32.7 66.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.497 ' CE1' HD11 ' A' ' 34' ' ' ILE . 38.5 t60 -79.26 -45.35 19.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -45.62 -21.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -50.24 -46.73 55.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.497 HD11 ' CE1' ' A' ' 31' ' ' HIS . 6.1 pt -65.68 -15.34 18.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.406 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 67.4 m-70 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.554 ' HD3' ' HB1' ' A' ' 21' ' ' ALA . 2.8 mptp? . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.573 0.702 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.408 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.8 -39.13 6.79 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.644 2.23 . . . . 0.0 112.325 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.559 ' CE1' ' HB3' ' A' ' 25' ' ' ARG . 74.4 m-85 -92.18 136.28 33.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.95 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.457 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 29.6 ttm-85 -142.64 149.13 38.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.457 ' N ' ' HG2' ' A' ' 14' ' ' ARG . 11.5 t -79.37 120.96 24.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.12 30.73 0.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.508 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 5.4 mm-40 -126.34 -46.72 1.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.5 p -117.64 -50.4 2.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.13 37.49 0.42 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.505 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.555 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 5.2 tptp -85.61 153.8 22.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.802 0.334 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.554 ' HB1' ' HD3' ' A' ' 11' ' ' LYS . . . -108.24 142.81 37.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.555 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 65.7 m-85 -147.33 130.77 16.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.9 p -74.06 -27.24 60.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.137 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 25' ' ' ARG . 1.7 m-20 -134.74 118.99 17.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.559 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 10.2 ptm180 -38.53 -40.94 0.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.1 p -39.14 -47.42 1.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -71.81 -40.42 69.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.407 HD13 ' CD2' ' A' ' 22' ' ' PHE . 30.6 tp -54.59 -44.16 72.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -59.45 -40.86 88.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 34.4 m -64.96 -41.85 95.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.42 ' O ' ' N ' ' A' ' 33' ' ' LYS . 5.1 t60 -68.9 -50.56 48.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -42.34 -24.62 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 31' ' ' HIS . 44.5 mttm -51.31 -47.16 62.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.4 pt -48.54 -23.72 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.508 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 90.6 m-70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.643 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 121.561 0.696 . . . . 0.0 110.885 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -32.97 17.48 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.685 2.256 . . . . 0.0 112.325 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.528 ' CE1' ' HG3' ' A' ' 25' ' ' ARG . 57.8 m-85 -102.63 143.85 31.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -150.3 155.98 40.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.856 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.3 t -92.97 131.3 38.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.14 -3.34 58.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.586 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 21.7 mp0 -88.64 -59.38 2.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.851 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.1 p -104.7 -49.55 3.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.56 39.99 0.59 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.441 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 50.4 tttt -89.64 149.79 22.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.643 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -98.85 139.54 34.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.093 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.574 ' CD1' HD13 ' A' ' 28' ' ' LEU . 51.7 m-85 -135.88 147.68 48.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.8 t -94.89 -20.88 19.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.144 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -139.25 139.19 37.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.528 ' HG3' ' CE1' ' A' ' 13' ' ' TYR . 31.6 mtt85 -50.51 -53.4 30.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.4 t -40.9 -53.64 2.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -57.11 -43.65 82.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.574 HD13 ' CD1' ' A' ' 22' ' ' PHE . 34.1 tp -61.62 -48.59 80.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -54.65 -44.16 73.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.1 m -60.68 -38.05 83.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.403 ' C ' ' N ' ' A' ' 33' ' ' LYS . 17.8 t60 -70.11 -47.96 59.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -44.88 -21.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 31' ' ' HIS . 30.5 mttm -48.03 -47.27 33.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.419 HG13 ' N ' ' A' ' 35' ' ' HIS . 11.5 pt -57.35 -23.91 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.059 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.586 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 96.0 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.844 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 1.2 mppt? . . . . . 0 C--O 1.23 0.056 0 CA-C-O 121.577 0.703 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.561 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.2 Cg_endo -69.8 -36.46 10.65 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.661 2.241 . . . . 0.0 112.305 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.561 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 39.7 m-85 -92.08 138.49 31.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.927 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.404 ' HD2' ' C ' ' A' ' 14' ' ' ARG . 6.1 tmm_? -144.85 143.33 30.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.3 t -75.97 124.41 27.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.815 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.28 20.79 2.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.075 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.568 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 6.5 mm-40 -118.29 -49.53 2.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.2 p -108.13 -50.5 3.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.78 43.74 0.48 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.3 tttt -104.31 161.05 14.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.813 0.34 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.844 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -103.95 153.5 20.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.082 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.473 ' CD1' HD13 ' A' ' 28' ' ' LEU . 90.2 m-85 -146.82 144.69 29.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.945 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 80.7 p -73.83 -43.58 58.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.111 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.411 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 3.2 t0 -125.3 154.73 41.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.52 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 23.4 ptt-85 -62.1 -34.55 76.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.0 t -57.09 -50.88 71.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -58.44 -35.45 72.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.473 HD13 ' CD1' ' A' ' 22' ' ' PHE . 44.7 tp -67.0 -53.1 34.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -52.03 -45.18 64.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 59.1 m -61.33 -33.05 72.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.153 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.407 ' C ' ' N ' ' A' ' 33' ' ' LYS . 12.1 t60 -73.78 -49.5 25.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -44.38 -22.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.407 ' N ' ' C ' ' A' ' 31' ' ' HIS . 57.8 mttm -49.96 -39.64 41.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.467 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -64.03 -25.02 37.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 78.5 m-70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.505 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.527 0.68 . . . . 0.0 110.916 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -31.96 19.58 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.698 2.265 . . . . 0.0 112.374 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.555 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 81.2 m-85 -99.48 151.55 21.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.412 ' C ' ' HD2' ' A' ' 14' ' ' ARG . 1.6 tmm_? -155.1 145.77 22.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.2 t -84.61 114.1 21.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.405 ' HA ' ' NH1' ' A' ' 14' ' ' ARG . . . -70.98 -8.07 50.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.03 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.477 ' HG3' ' CG ' ' A' ' 35' ' ' HIS . 17.1 mm-40 -82.74 -62.39 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.2 p -100.93 -48.57 4.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.23 23.67 1.92 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.52 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 74.6 mttt -76.26 161.71 28.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.774 0.321 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.505 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -110.64 148.89 31.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -145.55 135.37 23.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.829 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.9 p -72.82 -41.08 65.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.147 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -119.55 143.42 47.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.555 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 11.6 tpt180 -56.56 -52.98 62.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.1 p -40.48 -42.68 1.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -64.97 -51.04 63.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.9 tp -50.31 -47.31 55.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -55.56 -45.63 77.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.7 m -57.15 -33.07 67.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.52 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 47.2 t60 -79.83 -42.85 23.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.829 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -51.15 -17.42 0.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -51.88 -45.66 64.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -63.98 -12.23 11.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.078 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.477 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 78.4 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.521 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.62 0.724 . . . . 0.0 110.887 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.419 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.1 Cg_endo -69.73 -24.08 30.23 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.742 2.294 . . . . 0.0 112.328 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.419 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 87.8 m-85 -111.11 158.44 18.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -163.11 133.52 4.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.7 t -68.03 105.44 2.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.04 -10.27 13.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.95 -62.17 1.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.7 p -96.94 -48.1 5.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.05 33.05 1.09 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.513 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 20.9 mttp -79.7 -178.76 6.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.783 0.325 . . . . 0.0 110.885 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.521 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -131.12 134.97 47.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.079 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -136.92 151.39 49.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.7 m -86.42 -44.73 11.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.133 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -117.02 147.14 42.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.552 ' HG2' ' CD1' ' A' ' 29' ' ' PHE . 49.2 ttp180 -56.94 -48.05 79.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.2 m -45.37 -48.47 13.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -60.38 -43.59 96.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.4 tp -62.4 -59.3 5.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.552 ' CD1' ' HG2' ' A' ' 25' ' ' ARG . 6.8 m-85 -42.82 -43.54 4.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.6 m -60.33 -38.85 85.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.513 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 30.3 t60 -74.36 -50.27 19.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -42.14 -23.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 31' ' ' HIS . 90.1 mttt -49.89 -49.18 50.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.0 pt -56.23 -17.25 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.861 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.42 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 72.5 mmtt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 121.588 0.709 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -26.48 27.26 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.642 2.228 . . . . 0.0 112.324 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.581 ' CE1' ' HG3' ' A' ' 25' ' ' ARG . 85.7 m-85 -107.24 142.16 37.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -141.86 142.57 33.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.3 t -76.32 117.02 17.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.0 31.24 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.551 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 25.9 mt-10 -129.06 -43.55 1.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.7 p -119.1 -49.26 2.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.09 59.11 0.25 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.46 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.0 tttm -114.27 169.41 9.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.766 0.317 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.42 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -113.97 140.91 48.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.056 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.512 ' CD2' HD13 ' A' ' 28' ' ' LEU . 98.8 m-85 -141.07 134.8 30.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.7 t -72.42 -30.44 64.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -138.08 160.52 39.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.581 ' HG3' ' CE1' ' A' ' 13' ' ' TYR . 27.0 mtt85 -62.23 -58.94 5.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 25' ' ' ARG . 30.7 t -34.47 -52.26 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -60.38 -43.55 96.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.512 HD13 ' CD2' ' A' ' 22' ' ' PHE . 22.9 tp -62.81 -51.62 66.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -54.9 -41.2 70.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.2 m -60.22 -38.5 83.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.18 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 33' ' ' LYS . 20.1 t60 -73.12 -54.78 7.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 31' ' ' HIS . 32.5 mt-30 -35.95 -30.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 31' ' ' HIS . 63.8 mttm -47.74 -48.63 29.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.476 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -44.33 -25.28 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.551 ' CD2' ' HB3' ' A' ' 17' ' ' GLU . 76.8 m80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.421 ' HD3' ' HB1' ' A' ' 21' ' ' ALA . 1.9 mptm? . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.588 0.709 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.516 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.78 -26.49 27.44 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.629 2.219 . . . . 0.0 112.348 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.791 ' HB3' HD22 ' A' ' 28' ' ' LEU . 41.1 m-85 -117.92 153.95 32.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.3 ttm105 -158.52 151.93 23.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.4 t -83.13 127.39 33.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -89.54 30.13 1.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -129.82 -51.08 1.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.2 p -109.09 -47.57 3.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.16 40.75 0.67 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.508 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.573 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 45.0 mttm -89.36 157.55 18.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.854 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.421 ' HB1' ' HD3' ' A' ' 11' ' ' LYS . . . -110.01 135.69 50.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -131.03 159.71 36.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.1 p -93.39 -42.1 9.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -116.47 153.47 32.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.54 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 27.7 ttp180 -63.26 -52.56 61.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.9 t -44.21 -46.67 9.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -62.11 -42.93 99.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.791 HD22 ' HB3' ' A' ' 13' ' ' TYR . 32.3 tp -61.52 -54.37 44.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -51.82 -49.39 62.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.481 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 42.1 m -54.83 -36.32 64.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.573 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 36.0 t60 -68.43 -54.12 19.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.835 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -45.49 -22.35 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.481 ' CG ' ' O ' ' A' ' 30' ' ' THR . 36.2 mmtt -49.92 -42.17 47.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.8 pt -61.45 -24.16 32.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.113 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.883 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.512 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.601 0.715 . . . . 0.0 110.879 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.426 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.8 -26.95 26.87 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.718 2.278 . . . . 0.0 112.306 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.496 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 83.5 m-85 -102.94 150.54 23.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -151.38 139.28 19.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.5 t -77.54 118.93 20.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.419 ' C ' ' OE1' ' A' ' 17' ' ' GLU . . . -81.37 13.89 2.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.419 ' OE1' ' C ' ' A' ' 16' ' ' ALA . 1.0 OUTLIER -108.32 -50.07 3.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.5 p -111.73 -45.66 3.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.82 32.78 1.37 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.519 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.496 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 19.4 mtpp -84.23 166.35 17.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.781 0.324 . . . . 0.0 110.897 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.512 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -115.64 133.03 56.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.103 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.419 ' C ' ' HG2' ' A' ' 11' ' ' LYS . 84.6 m-85 -132.37 128.05 36.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.495 HG22 ' HE2' ' A' ' 11' ' ' LYS . 68.3 p -66.73 -39.41 87.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -112.91 166.31 11.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.496 ' HB2' ' CZ ' ' A' ' 13' ' ' TYR . 40.1 ttt180 -80.65 -53.62 6.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 t -42.67 -45.57 4.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -59.75 -42.3 92.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.7 tp -61.12 -59.4 5.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -43.37 -49.13 7.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.992 0.425 . . . . 0.0 110.928 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.441 HG23 ' HE2' ' A' ' 33' ' ' LYS . 89.6 m -58.2 -39.04 77.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.134 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.496 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 46.9 t60 -70.65 -45.2 65.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -49.8 -18.11 0.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.441 ' HE2' HG23 ' A' ' 30' ' ' THR . 32.0 mtmt -52.0 -46.33 64.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.0 pt -60.12 -9.67 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.85 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 121.547 0.689 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.482 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.5 Cg_endo -69.76 -27.12 26.83 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.685 2.257 . . . . 0.0 112.331 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.482 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 47.3 m-85 -110.69 134.34 52.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.9 ttm105 -134.35 155.81 49.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.9 t -88.59 126.06 35.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.08 25.9 1.49 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.071 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.58 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 12.1 mm-40 -122.35 -47.36 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.868 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.2 p -117.67 -49.23 2.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.84 42.36 0.41 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.6 mtpp -92.11 158.45 16.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.802 0.334 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.07 139.53 39.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.133 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -140.42 129.72 23.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.5 t -82.02 -21.92 36.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.181 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -126.04 142.96 51.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.406 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 5.3 ttp-105 -61.3 -56.26 22.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.0 t -44.77 -40.15 5.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -63.62 -47.99 79.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.6 tp -60.45 -58.01 10.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -49.39 -38.36 28.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 62.6 m -66.5 -34.76 78.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.136 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' A' ' 33' ' ' LYS . 1.9 t-80 -76.0 -47.2 25.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.832 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -42.67 -23.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 31' ' ' HIS . 38.6 mtmt -51.8 -41.18 61.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.9 pt -56.48 -18.91 7.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.159 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.58 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 97.2 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.603 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 26.4 mttm . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.54 0.686 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -36.98 9.71 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.649 2.233 . . . . 0.0 112.343 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.603 ' CE1' ' CG ' ' A' ' 25' ' ' ARG . 74.5 m-85 -94.26 141.58 28.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.938 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.416 ' HD3' ' C ' ' A' ' 15' ' ' CYS . 0.4 OUTLIER -146.11 135.3 22.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.937 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.416 ' C ' ' HD3' ' A' ' 14' ' ' ARG . 6.2 t -73.63 109.19 6.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.15 -14.89 54.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.067 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -75.78 -66.09 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.3 p -98.52 -49.13 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.2 31.74 1.05 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.1 mtpp -73.37 -177.85 2.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.738 0.304 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.603 ' HB1' ' HD2' ' A' ' 11' ' ' LYS . . . -131.97 134.81 46.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.407 ' CA ' ' HD3' ' A' ' 11' ' ' LYS . 93.7 m-85 -139.72 138.95 36.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.7 t -81.41 -25.79 35.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -131.97 149.33 52.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.603 ' CG ' ' CE1' ' A' ' 13' ' ' TYR . 18.0 mtt-85 -58.04 -56.63 19.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 25' ' ' ARG . 15.4 t -37.78 -53.85 1.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -57.96 -40.57 80.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 25' ' ' ARG . 23.2 tp -65.12 -48.34 73.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -54.59 -43.26 71.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 59.0 m -60.59 -33.59 72.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.427 ' O ' ' N ' ' A' ' 33' ' ' LYS . 9.0 t60 -79.18 -49.23 12.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -43.16 -22.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 31' ' ' HIS . 45.8 mtmt -52.49 -40.5 62.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.481 HD11 ' NE2' ' A' ' 35' ' ' HIS . 5.8 pt -57.0 -12.33 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.481 ' NE2' HD11 ' A' ' 34' ' ' ILE . 95.6 m-70 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.461 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 121.613 0.721 . . . . 0.0 110.842 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -40.49 5.25 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.698 2.265 . . . . 0.0 112.369 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.534 ' HB3' HD22 ' A' ' 28' ' ' LEU . 65.3 m-85 -88.21 148.45 24.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -153.39 140.03 18.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 17' ' ' GLU . 11.4 t -83.13 78.89 9.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.03 -23.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 15' ' ' CYS . 8.2 mm-40 -60.95 -54.59 43.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.9 p -108.64 -42.22 4.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.91 36.71 0.94 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.543 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -89.13 -179.79 5.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.774 0.321 . . . . 0.0 110.944 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.461 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -134.88 133.98 40.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.056 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.462 ' CD1' HD13 ' A' ' 28' ' ' LEU . 97.5 m-85 -135.37 136.78 41.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.417 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 7.4 t -75.62 -28.77 58.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -122.84 158.31 30.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -74.9 -44.86 46.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.6 t -50.1 -55.2 15.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -55.59 -41.29 73.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.534 HD22 ' HB3' ' A' ' 13' ' ' TYR . 26.0 tp -59.2 -49.5 77.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -54.07 -48.32 70.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.831 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 98.0 m -55.16 -33.94 63.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -74.97 -41.21 60.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -52.83 -15.96 0.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -58.27 -20.39 41.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.3 pt -79.51 -10.8 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.146 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.821 179.877 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.49 ' HD3' ' HB1' ' A' ' 21' ' ' ALA . 10.6 mptt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.551 0.691 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -27.58 26.19 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.688 2.259 . . . . 0.0 112.342 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.555 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 68.7 m-85 -103.43 162.14 13.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -161.99 133.17 5.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 19' ' ' GLY . 7.4 t -84.66 81.97 8.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.75 -26.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.079 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.566 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 6.2 mp0 -57.26 -61.78 2.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.8 p -105.78 -39.47 6.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 114.49 33.5 1.74 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.456 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.5 mttt -87.55 157.08 19.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.785 0.326 . . . . 0.0 110.895 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.49 ' HB1' ' HD3' ' A' ' 11' ' ' LYS . . . -108.89 129.62 55.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.402 ' CD2' ' HA ' ' A' ' 28' ' ' LEU . 27.9 m-85 -125.41 135.9 52.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 60.3 p -77.21 -37.83 52.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.181 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -117.94 146.66 43.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.555 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 28.6 ttp180 -63.08 -56.46 16.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 77.6 p -41.05 -43.63 2.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.0 m-20 -64.24 -44.01 93.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.402 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 19.3 tp -58.64 -58.11 10.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -45.54 -45.26 13.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.429 HG23 ' HE2' ' A' ' 33' ' ' LYS . 86.8 m -57.19 -43.07 82.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.097 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 33' ' ' LYS . 8.1 t-80 -65.74 -53.93 34.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -38.57 -26.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' HIS . 26.2 mtmt -46.93 -49.53 20.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.473 HG13 ' N ' ' A' ' 35' ' ' HIS . 8.5 pt -51.31 -26.43 5.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.566 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 91.1 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.819 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.706 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 72.4 mmtt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.562 0.696 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.415 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.5 Cg_endo -69.8 -17.2 37.55 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.702 2.268 . . . . 0.0 112.302 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.547 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 87.1 m-85 -117.88 122.99 44.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -125.83 139.39 53.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.6 t -76.33 122.93 25.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.1 30.43 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.578 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 17.4 mm-40 -126.76 -51.09 1.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.7 p -113.66 -49.02 2.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.01 27.8 0.99 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.43 ' HA ' ' NZ ' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -82.01 150.54 27.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.815 0.34 . . . . 0.0 110.909 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.706 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -108.33 144.37 35.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.057 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.409 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 97.4 m-85 -140.33 136.6 33.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 t -67.32 -38.8 85.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -112.35 169.51 8.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.547 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 5.9 ttm105 -87.73 -45.29 10.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.5 m -49.44 -47.03 48.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.804 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -61.83 -43.54 98.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.6 tp -55.02 -58.25 8.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -47.42 -39.54 15.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 92.7 m -64.88 -37.57 88.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -70.72 -35.76 72.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -55.13 -14.08 1.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -57.55 -24.08 54.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 25.6 pt -75.99 -10.51 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.578 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 77.2 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.0 mttt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.562 0.696 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.542 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.78 -27.22 26.66 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.682 2.255 . . . . 0.0 112.326 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.542 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 37.0 m-85 -108.1 153.3 23.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.974 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.407 ' CG ' ' O ' ' A' ' 20' ' ' LYS . 44.7 ttp180 -156.54 151.78 26.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.6 t -83.96 122.27 28.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.02 29.91 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.112 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -125.19 -53.97 1.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.5 p -106.79 -43.14 4.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.04 38.8 0.85 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.407 ' O ' ' CG ' ' A' ' 14' ' ' ARG . 57.1 tttm -94.38 162.48 13.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.813 0.339 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.12 144.05 40.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.117 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.42 ' CD1' HD13 ' A' ' 28' ' ' LEU . 96.5 m-85 -139.42 132.65 29.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 t -67.79 -32.61 73.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.158 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.506 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 13.7 t70 -124.81 170.9 10.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.442 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 8.4 tpp85 -87.32 -47.77 8.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.4 p -44.77 -42.42 7.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.803 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -69.05 -43.53 74.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.42 HD13 ' CD1' ' A' ' 22' ' ' PHE . 37.8 tp -54.3 -47.48 72.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -53.98 -47.84 70.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.513 HG23 ' HE2' ' A' ' 33' ' ' LYS . 99.8 m -55.67 -41.37 73.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.418 ' C ' ' N ' ' A' ' 33' ' ' LYS . 46.8 t60 -66.68 -47.86 71.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -43.57 -22.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.513 ' HE2' HG23 ' A' ' 30' ' ' THR . 52.9 mtmt -51.27 -48.31 62.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.418 HD11 ' CE1' ' A' ' 31' ' ' HIS . 5.9 pt -60.65 -9.24 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.82 179.925 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.791 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 12.9 mptt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.573 0.702 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -38.94 7.03 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.676 2.251 . . . . 0.0 112.366 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.529 ' CE1' ' HB3' ' A' ' 25' ' ' ARG . 51.5 m-85 -93.85 149.16 21.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.5 tpp85 -148.22 142.16 25.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.0 t -79.55 109.76 14.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.8 -0.84 7.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.069 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -90.41 -64.46 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -101.34 -48.26 4.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.52 55.42 0.26 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.487 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.425 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 31.4 tttt -109.67 151.91 26.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.788 0.328 . . . . 0.0 110.854 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.791 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -97.48 142.21 29.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.571 ' CD2' HD13 ' A' ' 28' ' ' LEU . 98.4 m-85 -138.56 123.38 18.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.1 t -67.95 -22.32 65.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.173 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -139.69 126.3 20.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.529 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 25.6 ptt180 -47.37 -41.4 19.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.8 p -46.63 -46.32 19.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -65.27 -43.35 91.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.571 HD13 ' CD2' ' A' ' 22' ' ' PHE . 44.2 tp -52.98 -55.7 21.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.959 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -47.19 -48.66 23.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 97.1 m -56.14 -33.63 65.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.151 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.565 ' CE1' HD11 ' A' ' 34' ' ' ILE . 38.1 t60 -76.08 -51.6 11.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -38.86 -26.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 31' ' ' HIS . 8.6 mtmp? -49.73 -48.6 49.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.853 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.565 HD11 ' CE1' ' A' ' 31' ' ' HIS . 6.1 pt -58.49 -17.9 10.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.079 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.863 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.454 ' HG2' ' N ' ' A' ' 23' ' ' THR . 6.3 mptt . . . . . 0 C--O 1.231 0.132 0 CA-C-O 121.55 0.69 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -28.06 25.75 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.755 2.303 . . . . 0.0 112.315 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.568 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 73.2 m-85 -102.4 161.51 13.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.406 ' HD2' ' C ' ' A' ' 14' ' ' ARG . 2.0 tmm_? -167.13 135.36 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.827 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.5 t -75.36 120.62 21.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.51 0.23 30.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.117 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.528 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 52.5 mm-40 -92.6 -50.18 5.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.7 p -108.56 -46.41 3.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.861 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.23 27.23 3.21 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.451 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.447 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 51.2 tttt -84.41 158.22 21.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.753 0.311 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.33 145.23 29.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.098 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.447 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 98.2 m-85 -143.0 124.94 15.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.454 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 9.5 t -68.33 -31.73 71.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.145 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -121.65 151.49 40.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.568 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 63.6 ttp85 -69.76 -54.47 13.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.7 m -40.12 -48.57 2.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -59.29 -45.34 91.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.0 tp -56.02 -60.74 3.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -49.2 -41.78 38.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 97.8 m -64.48 -33.2 75.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.162 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.45 ' O ' ' N ' ' A' ' 33' ' ' LYS . 9.2 t60 -73.83 -48.34 31.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -40.57 -25.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 31' ' ' HIS . 35.2 mtmt -51.12 -44.09 61.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.467 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -51.49 -25.12 4.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.137 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.528 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 82.7 m-70 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.701 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 1.8 mptp? . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.571 0.7 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.512 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.77 -32.21 19.0 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.707 2.271 . . . . 0.0 112.325 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.512 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 47.1 m-85 -95.47 143.08 27.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.0 ttt85 -145.88 147.44 31.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 19' ' ' GLY . 6.4 t -95.3 82.48 3.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.51 -23.5 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.071 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.441 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 79.9 mm-40 -60.38 -60.45 3.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.4 p -105.55 -40.13 5.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 114.85 43.8 0.72 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.458 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -100.99 172.95 6.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.831 0.348 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.701 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -122.57 148.39 45.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -147.51 150.53 34.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.56 HG22 ' O ' ' A' ' 23' ' ' THR . 10.4 m -105.06 27.73 7.91 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -172.27 136.16 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.831 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -58.74 -50.98 71.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.5 m -51.77 -43.26 62.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -60.96 -45.06 96.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.9 tp -61.04 -59.85 4.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -49.44 -39.36 32.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 73.1 m -63.78 -39.3 93.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.173 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.472 ' O ' ' N ' ' A' ' 33' ' ' LYS . 1.9 t-80 -71.26 -49.09 46.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -40.12 -25.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 31' ' ' HIS . 72.1 mttt -50.71 -44.4 58.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.401 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.3 pt -50.41 -21.05 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.441 ' CD2' ' HB3' ' A' ' 17' ' ' GLU . 79.9 m80 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.559 0.695 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.514 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.5 Cg_endo -69.73 -16.49 37.7 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.647 2.232 . . . . 0.0 112.337 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.573 ' CE2' ' HA ' ' A' ' 24' ' ' ASP . 48.6 m-85 -122.3 131.04 53.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -144.05 152.25 40.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.1 t -92.06 111.43 22.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.61 -18.09 64.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.097 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.527 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 8.9 mm-40 -70.86 -59.15 2.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.9 p -100.14 -48.35 4.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.09 41.42 0.9 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.526 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -100.67 161.31 13.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.779 0.323 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.48 145.57 28.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.07 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.44 ' CD1' HD13 ' A' ' 28' ' ' LEU . 84.0 m-85 -138.99 143.63 38.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.9 p -73.17 -46.56 50.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.151 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.573 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 3.5 p-10 -131.75 176.74 8.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.878 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.525 ' HG3' ' CE1' ' A' ' 13' ' ' TYR . 27.6 mtm180 -68.65 -59.0 3.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 25' ' ' ARG . 15.4 t -34.42 -51.07 0.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -61.39 -45.34 94.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' ARG . 40.8 tp -64.72 -59.86 3.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -47.55 -40.76 19.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 86.3 m -63.0 -40.3 97.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.112 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.491 ' O ' ' N ' ' A' ' 33' ' ' LYS . 11.1 t60 -72.09 -52.83 14.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.874 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 31' ' ' HIS . 63.3 mt-30 -36.59 -29.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 31' ' ' HIS . 42.8 mttm -47.21 -48.7 24.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.485 HG13 ' N ' ' A' ' 35' ' ' HIS . 11.3 pt -44.58 -27.22 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.091 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.527 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 91.0 m-70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.584 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.576 0.703 . . . . 0.0 110.916 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -33.13 17.15 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.641 2.227 . . . . 0.0 112.384 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.669 ' HB3' HD22 ' A' ' 28' ' ' LEU . 51.9 m-85 -102.39 148.34 25.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.4 ttt85 -150.14 149.95 30.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.1 t -88.13 107.43 18.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.41 -9.1 16.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -83.16 -64.2 1.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.8 p -96.25 -48.75 5.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.38 28.84 1.88 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.463 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -80.09 170.15 16.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.34 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.584 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -117.2 142.52 46.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -142.2 135.76 29.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.0 p -75.92 -35.79 59.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.35 162.7 17.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -80.37 -49.92 10.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.1 m -41.42 -45.6 3.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -65.34 -51.03 63.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.669 HD22 ' HB3' ' A' ' 13' ' ' TYR . 60.1 tp -50.16 -56.54 10.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -51.31 -47.55 62.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 95.9 m -60.55 -29.27 69.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -79.66 -48.7 13.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -46.88 -19.86 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -52.99 -39.97 63.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.7 pt -60.23 -9.41 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.871 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.2 p -83.23 44.21 0.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.86 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.3 m -82.5 170.2 15.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.843 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.33 148.91 5.45 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 m -85.81 -54.22 4.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.892 0.377 . . . . 0.0 110.848 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 t -46.04 118.69 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.829 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 8' ' ' THR . . . 167.63 -94.4 0.11 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.415 HG23 ' N ' ' A' ' 9' ' ' GLY . 10.2 t -37.1 -41.14 0.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.833 0.349 . . . . 0.0 111.171 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.415 ' N ' HG23 ' A' ' 8' ' ' THR . . . -160.0 144.5 10.14 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -109.12 87.02 2.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.991 0.425 . . . . 0.0 110.912 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.768 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 11.6 mptt -101.42 146.85 32.91 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.573 0.702 . . . . 0.0 110.925 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.46 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.4 Cg_endo -69.76 -36.57 10.56 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.644 2.229 . . . . 0.0 112.396 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.46 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 60.9 m-85 -101.12 157.96 16.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -153.32 140.79 19.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.9 t -84.06 111.14 19.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.33 -3.13 18.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.093 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.406 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 57.5 mm-40 -87.69 -58.3 2.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.7 p -107.08 -48.47 3.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.17 34.22 0.84 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.2 tttp -87.21 152.86 21.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.768 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -105.89 140.26 39.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.452 ' CD1' HD13 ' A' ' 28' ' ' LEU . 81.8 m-85 -135.71 151.11 49.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.2 m -85.9 -38.81 17.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.193 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -126.41 147.98 49.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 28' ' ' LEU . 30.0 ttt180 -53.33 -57.43 10.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 25' ' ' ARG . 96.0 p -35.38 -43.62 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -64.99 -47.02 79.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 25' ' ' ARG . 64.1 tp -56.1 -56.4 21.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -52.75 -44.28 66.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 98.1 m -57.11 -32.7 66.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.497 ' CE1' HD11 ' A' ' 34' ' ' ILE . 38.5 t60 -79.26 -45.35 19.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -45.62 -21.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -50.24 -46.73 55.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.497 HD11 ' CE1' ' A' ' 31' ' ' HIS . 6.1 pt -65.68 -15.34 18.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.406 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 67.4 m-70 -92.38 -49.91 5.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.8 t -86.08 48.19 1.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -162.49 36.78 0.35 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.517 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -150.85 152.26 33.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.887 0.375 . . . . 0.0 110.894 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -46.42 143.81 3.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.564 0.697 . . . . 0.0 110.956 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 172.26 12.92 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.716 2.277 . . . . 0.0 112.343 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.9 m -117.74 174.95 5.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.818 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -155.35 146.03 13.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.481 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 44' ' ' SER . 54.2 Cg_endo -69.72 126.68 13.62 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.663 2.242 . . . . 0.0 112.394 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 43' ' ' PRO . 12.5 m 35.23 46.55 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 t -155.18 117.52 4.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.476 -179.997 . . . . . . . . 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 -0.344 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -154.82 150.52 27.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.926 0.394 . . . . 0.0 110.848 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.4 p -114.12 156.92 23.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 110.8 -158.03 14.62 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.455 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 4' ' ' GLY . 4.8 t 34.52 42.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.862 0.363 . . . . 0.0 110.832 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.9 m -86.27 -48.86 8.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.04 -157.83 24.08 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.529 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.9 m -87.02 122.95 31.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.857 0.361 . . . . 0.0 111.177 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 145.61 50.58 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -126.75 179.06 5.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.944 0.402 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.554 ' HD3' ' HB1' ' A' ' 21' ' ' ALA . 2.8 mptp? -103.69 144.13 28.05 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.573 0.702 . . . . 0.0 110.926 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.408 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.8 -39.13 6.79 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.644 2.23 . . . . 0.0 112.325 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.559 ' CE1' ' HB3' ' A' ' 25' ' ' ARG . 74.4 m-85 -92.18 136.28 33.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.95 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.457 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 29.6 ttm-85 -142.64 149.13 38.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.457 ' N ' ' HG2' ' A' ' 14' ' ' ARG . 11.5 t -79.37 120.96 24.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.12 30.73 0.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.508 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 5.4 mm-40 -126.34 -46.72 1.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.5 p -117.64 -50.4 2.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.13 37.49 0.42 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.505 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.555 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 5.2 tptp -85.61 153.8 22.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.802 0.334 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.554 ' HB1' ' HD3' ' A' ' 11' ' ' LYS . . . -108.24 142.81 37.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.555 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 65.7 m-85 -147.33 130.77 16.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.9 p -74.06 -27.24 60.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.137 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 25' ' ' ARG . 1.7 m-20 -134.74 118.99 17.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.559 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 10.2 ptm180 -38.53 -40.94 0.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.1 p -39.14 -47.42 1.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -71.81 -40.42 69.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.407 HD13 ' CD2' ' A' ' 22' ' ' PHE . 30.6 tp -54.59 -44.16 72.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -59.45 -40.86 88.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 34.4 m -64.96 -41.85 95.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.42 ' O ' ' N ' ' A' ' 33' ' ' LYS . 5.1 t60 -68.9 -50.56 48.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -42.34 -24.62 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 31' ' ' HIS . 44.5 mttm -51.31 -47.16 62.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.4 pt -48.54 -23.72 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.508 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 90.6 m-70 -90.48 -67.76 0.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.18 118.13 8.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -144.64 -133.67 2.68 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.513 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -133.79 170.81 15.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.918 0.39 . . . . 0.0 110.907 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm -92.27 144.01 28.33 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.577 0.704 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -2.44 10.17 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.665 2.244 . . . . 0.0 112.319 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.3 m -47.82 -49.96 27.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.844 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.79 83.39 0.1 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.539 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 2.8 3.2 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.706 2.271 . . . . 0.0 112.336 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.7 p 56.03 42.49 28.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.821 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.2 m -128.28 79.67 1.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 CA-C-O 119.197 -0.779 . . . . 0.0 112.502 -179.967 . . . . . . . . 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 -0.318 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -153.53 166.92 31.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.903 0.383 . . . . 0.0 110.857 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 t 63.01 44.11 6.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.847 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.66 62.35 3.04 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.1 p -111.75 161.63 16.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.906 0.384 . . . . 0.0 110.839 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t -60.42 158.75 11.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.32 127.47 2.95 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.553 ' O ' HG22 ' A' ' 8' ' ' THR . 18.0 m -98.8 40.47 1.2 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.802 0.334 . . . . 0.0 111.128 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -121.83 72.17 0.38 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -104.43 118.26 36.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.876 0.37 . . . . 0.0 110.874 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.643 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.9 OUTLIER -78.97 143.54 61.88 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.561 0.696 . . . . 0.0 110.885 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -32.97 17.48 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.685 2.256 . . . . 0.0 112.325 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.528 ' CE1' ' HG3' ' A' ' 25' ' ' ARG . 57.8 m-85 -102.63 143.85 31.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -150.3 155.98 40.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.856 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.3 t -92.97 131.3 38.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.14 -3.34 58.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.586 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 21.7 mp0 -88.64 -59.38 2.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.851 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.1 p -104.7 -49.55 3.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.56 39.99 0.59 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.441 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 50.4 tttt -89.64 149.79 22.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.643 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -98.85 139.54 34.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.093 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.574 ' CD1' HD13 ' A' ' 28' ' ' LEU . 51.7 m-85 -135.88 147.68 48.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.8 t -94.89 -20.88 19.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.144 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -139.25 139.19 37.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.528 ' HG3' ' CE1' ' A' ' 13' ' ' TYR . 31.6 mtt85 -50.51 -53.4 30.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.4 t -40.9 -53.64 2.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -57.11 -43.65 82.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.574 HD13 ' CD1' ' A' ' 22' ' ' PHE . 34.1 tp -61.62 -48.59 80.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -54.65 -44.16 73.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.1 m -60.68 -38.05 83.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.403 ' C ' ' N ' ' A' ' 33' ' ' LYS . 17.8 t60 -70.11 -47.96 59.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -44.88 -21.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 31' ' ' HIS . 30.5 mttm -48.03 -47.27 33.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.419 HG13 ' N ' ' A' ' 35' ' ' HIS . 11.5 pt -57.35 -23.91 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.059 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.586 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 96.0 m-70 -93.55 31.47 1.54 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.3 t -174.02 136.12 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.178 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -171.67 47.76 0.18 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.494 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -119.09 108.42 14.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.887 0.375 . . . . 0.0 110.907 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -116.26 78.5 8.09 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.555 0.693 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -3.07 11.31 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.712 2.275 . . . . 0.0 112.348 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 m -85.05 43.24 0.99 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.25 66.67 0.74 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -6.8 19.49 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.685 2.256 . . . . 0.0 112.302 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.5 m -113.25 162.71 15.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 47.5 t -40.25 108.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.1 -0.833 . . . . 0.0 112.499 -179.968 . . . . . . . . 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 1.451 -0.349 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -126.3 156.46 40.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.895 0.379 . . . . 0.0 110.873 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.1 p 44.68 43.34 6.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.61 -103.09 1.04 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.497 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -58.16 175.68 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.8 p -131.96 161.36 33.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.48 -66.42 0.11 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.455 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.8 t -44.96 125.97 5.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 111.178 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.48 93.13 1.34 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -102.77 -36.95 8.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.948 0.404 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.844 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 1.2 mppt? -78.12 143.93 66.37 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.577 0.703 . . . . 0.0 110.913 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.561 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.2 Cg_endo -69.8 -36.46 10.65 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.661 2.241 . . . . 0.0 112.305 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.561 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 39.7 m-85 -92.08 138.49 31.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.927 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.404 ' HD2' ' C ' ' A' ' 14' ' ' ARG . 6.1 tmm_? -144.85 143.33 30.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.3 t -75.97 124.41 27.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.815 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.28 20.79 2.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.075 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.568 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 6.5 mm-40 -118.29 -49.53 2.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.2 p -108.13 -50.5 3.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.78 43.74 0.48 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.3 tttt -104.31 161.05 14.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.813 0.34 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.844 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -103.95 153.5 20.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.082 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.473 ' CD1' HD13 ' A' ' 28' ' ' LEU . 90.2 m-85 -146.82 144.69 29.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.945 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 80.7 p -73.83 -43.58 58.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.111 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.411 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 3.2 t0 -125.3 154.73 41.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.52 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 23.4 ptt-85 -62.1 -34.55 76.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.0 t -57.09 -50.88 71.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -58.44 -35.45 72.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.473 HD13 ' CD1' ' A' ' 22' ' ' PHE . 44.7 tp -67.0 -53.1 34.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -52.03 -45.18 64.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 59.1 m -61.33 -33.05 72.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.153 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.407 ' C ' ' N ' ' A' ' 33' ' ' LYS . 12.1 t60 -73.78 -49.5 25.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -44.38 -22.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.407 ' N ' ' C ' ' A' ' 31' ' ' HIS . 57.8 mttm -49.96 -39.64 41.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.467 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -64.03 -25.02 37.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 78.5 m-70 -80.56 -74.98 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 37' ' ' GLY . 2.6 t -46.67 -37.98 9.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 36' ' ' THR . . . 37.86 -144.58 0.18 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.499 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -124.42 155.55 38.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.897 0.38 . . . . 0.0 110.879 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.24 143.93 51.38 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.545 0.688 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 136.11 32.06 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.669 2.246 . . . . 0.0 112.319 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.5 t -98.75 77.36 2.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.53 -158.17 16.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -3.36 11.83 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.669 2.246 . . . . 0.0 112.397 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.9 t -87.47 137.18 32.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.1 t -118.31 43.77 2.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 CA-C-O 119.173 -0.793 . . . . 0.0 112.477 -179.965 . . . . . . . . 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 -0.335 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.3 m -98.91 110.21 22.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.884 0.373 . . . . 0.0 110.822 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -132.54 144.91 50.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.843 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.53 -140.45 2.89 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 6' ' ' SER . 25.3 p -118.91 156.66 29.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.9 0.381 . . . . 0.0 110.887 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 5' ' ' SER . 44.4 t -36.38 -50.11 0.74 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.834 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.26 121.44 6.32 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.453 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.3 m -57.56 -55.96 28.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.816 0.341 . . . . 0.0 111.171 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.0 116.8 0.8 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.51 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.418 ' C ' ' HE3' ' A' ' 11' ' ' LYS . 13.6 tt0 -98.9 28.16 4.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.952 0.406 . . . . 0.0 110.877 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.505 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -93.46 154.66 41.25 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.527 0.68 . . . . 0.0 110.916 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -31.96 19.58 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.698 2.265 . . . . 0.0 112.374 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.555 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 81.2 m-85 -99.48 151.55 21.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.412 ' C ' ' HD2' ' A' ' 14' ' ' ARG . 1.6 tmm_? -155.1 145.77 22.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.2 t -84.61 114.1 21.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.405 ' HA ' ' NH1' ' A' ' 14' ' ' ARG . . . -70.98 -8.07 50.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.03 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.477 ' HG3' ' CG ' ' A' ' 35' ' ' HIS . 17.1 mm-40 -82.74 -62.39 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.2 p -100.93 -48.57 4.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.23 23.67 1.92 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.52 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 74.6 mttt -76.26 161.71 28.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.774 0.321 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.505 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -110.64 148.89 31.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -145.55 135.37 23.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.829 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.9 p -72.82 -41.08 65.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.147 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -119.55 143.42 47.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.555 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 11.6 tpt180 -56.56 -52.98 62.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.1 p -40.48 -42.68 1.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -64.97 -51.04 63.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.9 tp -50.31 -47.31 55.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -55.56 -45.63 77.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.7 m -57.15 -33.07 67.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.52 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 47.2 t60 -79.83 -42.85 23.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.829 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -51.15 -17.42 0.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -51.88 -45.66 64.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -63.98 -12.23 11.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.078 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.477 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 78.4 m-70 -99.01 -48.71 4.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.461 ' O ' ' CG2' ' A' ' 36' ' ' THR . 1.4 t -90.14 124.47 34.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 130.11 -171.92 20.35 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.445 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -133.13 133.86 43.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.889 0.376 . . . . 0.0 110.914 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.15 144.27 29.08 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.559 0.695 . . . . 0.0 110.947 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 110.16 2.48 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.373 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.3 t -45.87 -64.82 0.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.12 146.58 8.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -0.56 7.1 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.688 2.259 . . . . 0.0 112.291 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 52.1 p -121.83 177.23 5.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.87 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.4 m -152.15 114.57 4.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.461 179.99 . . . . . . . . 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 -0.323 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.2 p -157.93 140.57 14.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 0.0 110.876 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.2 p -138.83 166.7 23.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.6 78.17 1.36 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.465 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 p -102.98 99.65 9.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.932 0.396 . . . . 0.0 110.823 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.2 t -114.56 133.07 56.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.06 44.03 3.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.3 t -113.85 40.67 2.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.857 0.36 . . . . 0.0 111.144 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 165.33 48.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.499 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -115.94 -32.22 5.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.933 0.397 . . . . 0.0 110.875 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.521 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -65.63 143.91 98.75 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.62 0.724 . . . . 0.0 110.887 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.419 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.1 Cg_endo -69.73 -24.08 30.23 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.742 2.294 . . . . 0.0 112.328 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.419 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 87.8 m-85 -111.11 158.44 18.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -163.11 133.52 4.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.7 t -68.03 105.44 2.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.04 -10.27 13.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.95 -62.17 1.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.7 p -96.94 -48.1 5.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.05 33.05 1.09 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.513 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 20.9 mttp -79.7 -178.76 6.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.783 0.325 . . . . 0.0 110.885 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.521 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -131.12 134.97 47.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.079 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -136.92 151.39 49.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.7 m -86.42 -44.73 11.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.133 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -117.02 147.14 42.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.552 ' HG2' ' CD1' ' A' ' 29' ' ' PHE . 49.2 ttp180 -56.94 -48.05 79.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.2 m -45.37 -48.47 13.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -60.38 -43.59 96.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.4 tp -62.4 -59.3 5.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.552 ' CD1' ' HG2' ' A' ' 25' ' ' ARG . 6.8 m-85 -42.82 -43.54 4.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.6 m -60.33 -38.85 85.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.513 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 30.3 t60 -74.36 -50.27 19.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -42.14 -23.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 31' ' ' HIS . 90.1 mttt -49.89 -49.18 50.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.0 pt -56.23 -17.25 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -97.72 -51.28 4.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.9 t -85.49 45.51 1.2 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.36 52.79 0.78 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.1 tp10 -110.59 120.26 41.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.968 0.413 . . . . 0.0 110.899 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.7 146.96 72.92 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.594 0.711 . . . . 0.0 110.907 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 -37.71 8.91 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.73 2.287 . . . . 0.0 112.335 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.4 m -145.53 146.75 31.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 150.31 81.13 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 87.02 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.645 2.23 . . . . 0.0 112.365 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.7 m -162.24 140.64 8.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.1 t -130.98 142.9 50.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.181 -0.788 . . . . 0.0 112.529 179.962 . . . . . . . . 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 -0.342 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.7 m -72.57 -62.17 1.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.934 0.397 . . . . 0.0 110.89 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -118.28 165.89 13.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.73 72.76 0.33 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t -91.73 42.23 1.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.88 0.371 . . . . 0.0 110.86 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.7 m -102.13 42.28 1.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.841 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.5 100.51 1.56 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.5 m -128.87 95.93 4.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.871 0.367 . . . . 0.0 111.119 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 137.97 140.96 4.11 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.465 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -115.71 -38.76 3.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.947 0.404 . . . . 0.0 110.902 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.42 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 72.5 mmtt -114.54 154.03 46.64 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.588 0.709 . . . . 0.0 110.871 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -26.48 27.26 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.642 2.228 . . . . 0.0 112.324 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.581 ' CE1' ' HG3' ' A' ' 25' ' ' ARG . 85.7 m-85 -107.24 142.16 37.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -141.86 142.57 33.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.3 t -76.32 117.02 17.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.0 31.24 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.582 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 25.9 mt-10 -129.06 -43.55 1.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.7 p -119.1 -49.26 2.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.09 59.11 0.25 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.46 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.0 tttm -114.27 169.41 9.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.766 0.317 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.42 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -113.97 140.91 48.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.056 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.512 ' CD2' HD13 ' A' ' 28' ' ' LEU . 98.8 m-85 -141.07 134.8 30.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.7 t -72.42 -30.44 64.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -138.08 160.52 39.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.581 ' HG3' ' CE1' ' A' ' 13' ' ' TYR . 27.0 mtt85 -62.23 -58.94 5.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 25' ' ' ARG . 30.7 t -34.47 -52.26 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -60.38 -43.55 96.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.512 HD13 ' CD2' ' A' ' 22' ' ' PHE . 22.9 tp -62.81 -51.62 66.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -54.9 -41.2 70.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.2 m -60.22 -38.5 83.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.18 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 33' ' ' LYS . 20.1 t60 -73.12 -54.78 7.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 31' ' ' HIS . 32.5 mt-30 -35.95 -30.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 31' ' ' HIS . 63.8 mttm -47.74 -48.63 29.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.476 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -44.33 -25.28 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.582 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 72.4 m-70 -82.51 -37.97 24.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.409 ' O ' HG23 ' A' ' 36' ' ' THR . 15.1 t -121.25 37.97 4.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.173 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . -91.57 41.96 2.83 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.45 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 37' ' ' GLY . 20.0 tt0 34.89 43.89 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.908 0.385 . . . . 0.0 110.888 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.8 mmtm -95.55 143.02 25.4 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.556 0.693 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -174.31 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.636 2.224 . . . . 0.0 112.357 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.1 p -115.41 152.86 32.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.857 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.78 175.13 22.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.493 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 86.61 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.623 2.216 . . . . 0.0 112.389 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.1 t -74.31 118.18 16.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.4 t -174.08 144.45 0.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.836 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.45 -179.993 . . . . . . . . 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 1.451 -0.314 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.9 p -152.61 119.93 5.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.894 0.378 . . . . 0.0 110.852 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.2 p -153.56 124.11 7.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.57 63.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.3 p -86.62 -45.71 10.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.887 0.375 . . . . 0.0 110.858 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.3 p -96.54 121.47 38.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.04 55.17 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.5 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.8 p -139.81 147.3 40.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.862 0.363 . . . . 0.0 111.093 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 152.6 -62.93 0.38 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.491 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 63.55 48.22 3.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.919 0.39 . . . . 0.0 110.873 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.421 ' HD3' ' HB1' ' A' ' 21' ' ' ALA . 1.9 mptm? -80.5 143.88 56.12 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.588 0.709 . . . . 0.0 110.867 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.516 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.78 -26.49 27.44 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.629 2.219 . . . . 0.0 112.348 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.791 ' HB3' HD22 ' A' ' 28' ' ' LEU . 41.1 m-85 -117.92 153.95 32.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.3 ttm105 -158.52 151.93 23.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.4 t -83.13 127.39 33.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -89.54 30.13 1.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -129.82 -51.08 1.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.2 p -109.09 -47.57 3.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.16 40.75 0.67 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.508 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.573 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 45.0 mttm -89.36 157.55 18.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.854 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.421 ' HB1' ' HD3' ' A' ' 11' ' ' LYS . . . -110.01 135.69 50.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -131.03 159.71 36.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.1 p -93.39 -42.1 9.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -116.47 153.47 32.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.54 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 27.7 ttp180 -63.26 -52.56 61.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.9 t -44.21 -46.67 9.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -62.11 -42.93 99.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.791 HD22 ' HB3' ' A' ' 13' ' ' TYR . 32.3 tp -61.52 -54.37 44.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -51.82 -49.39 62.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.481 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 42.1 m -54.83 -36.32 64.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.573 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 36.0 t60 -68.43 -54.12 19.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.835 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -45.49 -22.35 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.481 ' CG ' ' O ' ' A' ' 30' ' ' THR . 36.2 mmtt -49.92 -42.17 47.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.8 pt -61.45 -24.16 32.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.113 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -90.96 -50.4 5.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.5 t -118.47 134.36 55.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 163.11 -179.37 38.36 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.472 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -109.05 26.21 10.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.937 0.399 . . . . 0.0 110.881 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.2 mtmm -144.48 143.93 23.45 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.572 0.701 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 41' ' ' SER . 53.3 Cg_endo -69.76 -49.48 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.65 2.233 . . . . 0.0 112.291 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 40' ' ' PRO . 85.8 p 34.55 43.45 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -108.04 83.42 0.33 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -172.18 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.642 2.228 . . . . 0.0 112.367 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 45' ' ' SER . 1.1 t -72.83 146.41 46.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 44' ' ' SER . 8.0 t -36.86 145.3 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.465 -179.954 . . . . . . . . 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 1.451 -0.341 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -146.22 133.11 20.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.804 0.335 . . . . 0.0 110.89 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -132.74 108.62 9.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.28 87.83 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 t -84.6 -47.97 9.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.897 0.38 . . . . 0.0 110.851 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.0 p -85.23 113.54 21.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.847 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.89 47.47 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.497 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.0 p -114.47 42.12 2.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.8 0.333 . . . . 0.0 111.131 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -145.76 129.74 3.52 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.53 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -86.76 91.44 8.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.909 0.385 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.512 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -68.0 144.67 97.28 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.601 0.715 . . . . 0.0 110.879 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.426 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.8 -26.95 26.87 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.718 2.278 . . . . 0.0 112.306 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.496 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 83.5 m-85 -102.94 150.54 23.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -151.38 139.28 19.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.5 t -77.54 118.93 20.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.419 ' C ' ' OE1' ' A' ' 17' ' ' GLU . . . -81.37 13.89 2.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.419 ' OE1' ' C ' ' A' ' 16' ' ' ALA . 1.0 OUTLIER -108.32 -50.07 3.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.5 p -111.73 -45.66 3.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.82 32.78 1.37 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.519 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.496 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 19.4 mtpp -84.23 166.35 17.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.781 0.324 . . . . 0.0 110.897 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.512 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -115.64 133.03 56.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.103 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.419 ' C ' ' HG2' ' A' ' 11' ' ' LYS . 84.6 m-85 -132.37 128.05 36.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.495 HG22 ' HE2' ' A' ' 11' ' ' LYS . 68.3 p -66.73 -39.41 87.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -112.91 166.31 11.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.496 ' HB2' ' CZ ' ' A' ' 13' ' ' TYR . 40.1 ttt180 -80.65 -53.62 6.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 t -42.67 -45.57 4.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -59.75 -42.3 92.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.7 tp -61.12 -59.4 5.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -43.37 -49.13 7.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.992 0.425 . . . . 0.0 110.928 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.441 HG23 ' HE2' ' A' ' 33' ' ' LYS . 89.6 m -58.2 -39.04 77.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.134 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.496 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 46.9 t60 -70.65 -45.2 65.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -49.8 -18.11 0.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.441 ' HE2' HG23 ' A' ' 30' ' ' THR . 32.0 mtmt -52.0 -46.33 64.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.0 pt -60.12 -9.67 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -107.01 -54.47 2.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -50.98 118.6 3.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.166 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 152.54 165.35 13.18 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -79.81 141.25 36.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -157.77 148.05 15.78 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.583 0.706 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 89.62 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.691 2.26 . . . . 0.0 112.386 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.3 t -58.03 167.14 1.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.802 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 142.11 158.97 7.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 85.78 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.638 2.225 . . . . 0.0 112.369 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -139.14 165.66 26.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.7 m -145.02 164.9 29.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.494 179.996 . . . . . . . . 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 -0.34 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t 62.85 41.94 8.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.936 0.398 . . . . 0.0 110.87 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.1 t -98.57 118.14 34.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.831 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.45 -78.02 0.22 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.7 p 39.58 43.18 1.03 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.838 0.352 . . . . 0.0 110.874 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.0 m -142.64 143.23 32.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.45 -154.63 7.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.51 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 67.1 p -41.94 111.6 0.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.817 0.341 . . . . 0.0 111.138 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -169.06 52.77 0.21 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.466 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.3 tp10 -100.08 107.12 18.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.923 0.392 . . . . 0.0 110.893 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -85.87 152.1 55.99 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.547 0.689 . . . . 0.0 110.945 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.482 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.5 Cg_endo -69.76 -27.12 26.83 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.685 2.257 . . . . 0.0 112.331 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.482 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 47.3 m-85 -110.69 134.34 52.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.9 ttm105 -134.35 155.81 49.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.9 t -88.59 126.06 35.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.08 25.9 1.49 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.071 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.58 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 12.1 mm-40 -122.35 -47.36 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.868 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.2 p -117.67 -49.23 2.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.84 42.36 0.41 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.476 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 13.6 mtpp -92.11 158.45 16.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.802 0.334 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.07 139.53 39.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.133 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -140.42 129.72 23.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.5 t -82.02 -21.92 36.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.181 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -126.04 142.96 51.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.406 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 5.3 ttp-105 -61.3 -56.26 22.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.0 t -44.77 -40.15 5.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -63.62 -47.99 79.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.6 tp -60.45 -58.01 10.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -49.39 -38.36 28.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 62.6 m -66.5 -34.76 78.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.136 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.476 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 8.7 t60 -76.0 -47.2 25.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.832 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -42.67 -23.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 31' ' ' HIS . 38.6 mtmt -51.8 -41.18 61.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.9 pt -56.48 -18.91 7.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.159 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.58 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 97.2 m-70 -96.93 -65.52 0.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 35' ' ' HIS . 9.6 t 34.05 42.1 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.51 101.65 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.478 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -58.94 137.95 57.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.909 0.385 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.83 148.05 12.17 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.602 0.715 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 41' ' ' SER . 53.2 Cg_endo -69.82 153.4 68.69 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.661 2.241 . . . . 0.0 112.355 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 40' ' ' PRO . 1.6 t -37.14 114.29 0.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -168.43 70.27 0.16 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.465 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 152.14 69.27 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.652 2.235 . . . . 0.0 112.351 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.9 m -125.64 93.77 3.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.0 m -106.79 171.66 7.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.499 -179.984 . . . . . . . . 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 -0.329 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.7 p -115.83 141.88 47.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.861 0.362 . . . . 0.0 110.808 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 m -88.14 -55.66 3.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.93 177.63 18.34 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.505 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.5 m -44.76 113.02 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.1 p -89.26 111.76 22.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.83 148.89 0.1 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.2 p -119.57 90.73 3.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.847 0.356 . . . . 0.0 111.103 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 160.69 74.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.483 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -93.7 118.73 31.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.934 0.397 . . . . 0.0 110.89 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.603 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 26.4 mttm -87.02 158.13 53.33 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.54 0.686 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -36.98 9.71 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.649 2.233 . . . . 0.0 112.343 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.603 ' CE1' ' CG ' ' A' ' 25' ' ' ARG . 74.5 m-85 -94.26 141.58 28.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.938 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.416 ' HD3' ' C ' ' A' ' 15' ' ' CYS . 0.4 OUTLIER -146.11 135.3 22.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.937 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.416 ' C ' ' HD3' ' A' ' 14' ' ' ARG . 6.2 t -73.63 109.19 6.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.15 -14.89 54.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.067 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -75.78 -66.09 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.3 p -98.52 -49.13 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.2 31.74 1.05 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.1 mtpp -73.37 -177.85 2.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.738 0.304 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.603 ' HB1' ' HD2' ' A' ' 11' ' ' LYS . . . -131.97 134.81 46.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.407 ' CA ' ' HD3' ' A' ' 11' ' ' LYS . 93.7 m-85 -139.72 138.95 36.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.7 t -81.41 -25.79 35.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -131.97 149.33 52.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.603 ' CG ' ' CE1' ' A' ' 13' ' ' TYR . 18.0 mtt-85 -58.04 -56.63 19.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 25' ' ' ARG . 15.4 t -37.78 -53.85 1.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -57.96 -40.57 80.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 25' ' ' ARG . 23.2 tp -65.12 -48.34 73.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -54.59 -43.26 71.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 59.0 m -60.59 -33.59 72.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.427 ' O ' ' N ' ' A' ' 33' ' ' LYS . 9.0 t60 -79.18 -49.23 12.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -43.16 -22.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 31' ' ' HIS . 45.8 mtmt -52.49 -40.5 62.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.481 HD11 ' NE2' ' A' ' 35' ' ' HIS . 5.8 pt -57.0 -12.33 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.481 ' NE2' HD11 ' A' ' 34' ' ' ILE . 95.6 m-70 -113.11 -54.1 2.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 p -58.48 91.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.089 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.4 71.76 0.32 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -133.64 86.74 2.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.929 0.395 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.445 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 8.4 mmtp 44.71 53.88 11.92 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.585 0.707 . . . . 0.0 110.874 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.445 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 54.2 Cg_endo -69.73 -0.23 6.58 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.391 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 40' ' ' PRO . 34.2 p -36.94 -57.23 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.52 170.17 17.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.492 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 124.1 10.74 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.705 2.27 . . . . 0.0 112.33 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.0 m -109.08 44.32 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.3 t -155.57 175.5 13.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.813 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.47 179.993 . . . . . . . . 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 -0.335 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.9 t -79.53 89.28 5.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.877 0.37 . . . . 0.0 110.889 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -83.0 -47.27 11.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.888 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.76 43.84 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.4 m -115.17 173.24 6.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.857 0.36 . . . . 0.0 110.858 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.5 p -142.76 113.31 7.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.858 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.42 40.05 0.21 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.466 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.1 p -70.24 119.51 14.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.803 0.335 . . . . 0.0 111.168 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -157.4 99.18 0.18 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -106.47 67.81 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.923 0.392 . . . . 0.0 110.901 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.461 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -119.57 153.71 54.23 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.613 0.721 . . . . 0.0 110.842 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -40.49 5.25 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.698 2.265 . . . . 0.0 112.369 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.534 ' HB3' HD22 ' A' ' 28' ' ' LEU . 65.3 m-85 -88.21 148.45 24.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -153.39 140.03 18.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 17' ' ' GLU . 11.4 t -83.13 78.89 9.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.03 -23.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 15' ' ' CYS . 8.2 mm-40 -60.95 -54.59 43.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.9 p -108.64 -42.22 4.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.91 36.71 0.94 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.543 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -89.13 -179.79 5.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.774 0.321 . . . . 0.0 110.944 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.461 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -134.88 133.98 40.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.056 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.462 ' CD1' HD13 ' A' ' 28' ' ' LEU . 97.5 m-85 -135.37 136.78 41.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.417 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 7.4 t -75.62 -28.77 58.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -122.84 158.31 30.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -74.9 -44.86 46.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.6 t -50.1 -55.2 15.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -55.59 -41.29 73.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.534 HD22 ' HB3' ' A' ' 13' ' ' TYR . 26.0 tp -59.2 -49.5 77.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -54.07 -48.32 70.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.831 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 98.0 m -55.16 -33.94 63.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -74.97 -41.21 60.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -52.83 -15.96 0.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.462 ' HA ' ' CG2' ' A' ' 36' ' ' THR . 22.9 mtmt -58.27 -20.39 41.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.3 pt -79.51 -10.8 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.146 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 36' ' ' THR . 66.2 m-70 -117.44 -58.6 2.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.821 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.462 ' CG2' ' HA ' ' A' ' 33' ' ' LYS . 57.7 p 33.83 39.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 125.34 86.48 0.65 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.49 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -55.39 118.28 4.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.957 0.408 . . . . 0.0 110.873 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.5 mmtm -130.45 143.09 47.85 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.59 0.709 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 84.85 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.701 2.267 . . . . 0.0 112.355 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.0 p -107.94 43.41 1.21 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 44.56 -158.19 0.18 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.464 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 142.19 47.23 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.73 2.286 . . . . 0.0 112.303 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.6 m -93.23 124.69 37.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.8 p -160.19 170.85 20.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.479 -179.96 . . . . . . . . 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 1.451 -0.317 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.0 m -124.38 147.98 47.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 0.0 110.896 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -111.11 138.32 47.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.28 148.89 1.01 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.497 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.0 p -132.42 94.52 3.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.828 0.347 . . . . 0.0 110.856 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.1 p -112.18 141.54 45.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.15 102.95 0.23 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.484 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.5 t -98.11 79.18 2.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 111.2 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 140.37 133.0 2.92 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -92.01 91.33 7.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.893 0.377 . . . . 0.0 110.896 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.49 ' HD3' ' HB1' ' A' ' 21' ' ' ALA . 10.6 mptt -71.43 159.15 86.37 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.551 0.691 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -27.58 26.19 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.688 2.259 . . . . 0.0 112.342 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.555 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 68.7 m-85 -103.43 162.14 13.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -161.99 133.17 5.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 19' ' ' GLY . 7.4 t -84.66 81.97 8.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.75 -26.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.079 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.566 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 6.2 mp0 -57.26 -61.78 2.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.8 p -105.78 -39.47 6.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 114.49 33.5 1.74 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.456 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.5 mttt -87.55 157.08 19.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.785 0.326 . . . . 0.0 110.895 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.49 ' HB1' ' HD3' ' A' ' 11' ' ' LYS . . . -108.89 129.62 55.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.402 ' CD2' ' HA ' ' A' ' 28' ' ' LEU . 27.9 m-85 -125.41 135.9 52.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 60.3 p -77.21 -37.83 52.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.181 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -117.94 146.66 43.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.555 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 28.6 ttp180 -63.08 -56.46 16.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 77.6 p -41.05 -43.63 2.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.0 m-20 -64.24 -44.01 93.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.402 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 19.3 tp -58.64 -58.11 10.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -45.54 -45.26 13.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.429 HG23 ' HE2' ' A' ' 33' ' ' LYS . 86.8 m -57.19 -43.07 82.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.097 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 33' ' ' LYS . 32.7 t60 -65.74 -53.93 34.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -38.57 -26.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' HIS . 26.2 mtmt -46.93 -49.53 20.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.473 HG13 ' N ' ' A' ' 35' ' ' HIS . 8.5 pt -51.31 -26.43 5.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.566 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 91.1 m-70 -86.09 -51.17 6.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.819 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.9 t -81.43 128.22 33.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -111.23 -140.24 8.21 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -103.82 40.65 1.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.931 0.396 . . . . 0.0 110.911 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.9 pttp -126.82 143.93 48.34 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.546 0.688 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 128.35 15.93 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.673 2.249 . . . . 0.0 112.392 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 53.2 p -102.43 91.77 4.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.836 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -51.62 146.22 12.86 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 175.31 8.29 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.685 2.257 . . . . 0.0 112.348 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 45' ' ' SER . 54.2 m -99.13 166.92 11.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 44' ' ' SER . 41.2 t -36.67 -46.82 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 CA-C-O 119.132 -0.815 . . . . 0.0 112.491 -179.978 . . . . . . . . 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 -0.322 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 p -68.29 121.44 16.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.874 0.369 . . . . 0.0 110.845 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.9 t -86.15 -47.05 9.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.51 54.61 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.674 -0.775 . . . . 0.0 112.421 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 6' ' ' SER . 5.9 t -87.84 41.54 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 110.85 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 5' ' ' SER . 98.6 p -35.15 104.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.35 -72.7 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.413 HG23 ' O ' ' A' ' 8' ' ' THR . 5.7 t -60.44 121.44 12.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.827 0.346 . . . . 0.0 111.121 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 136.01 -32.78 2.47 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -93.45 113.8 26.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.901 0.381 . . . . 0.0 110.874 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.706 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 72.4 mmtt -105.77 154.13 39.53 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.562 0.696 . . . . 0.0 110.916 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.415 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.5 Cg_endo -69.8 -17.2 37.55 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.702 2.268 . . . . 0.0 112.302 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.547 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 87.1 m-85 -117.88 122.99 44.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -125.83 139.39 53.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.6 t -76.33 122.93 25.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.1 30.43 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.578 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 17.4 mm-40 -126.76 -51.09 1.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.7 p -113.66 -49.02 2.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.01 27.8 0.99 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.43 ' HA ' ' NZ ' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -82.01 150.54 27.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.815 0.34 . . . . 0.0 110.909 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.706 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -108.33 144.37 35.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.057 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.409 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 97.4 m-85 -140.33 136.6 33.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 t -67.32 -38.8 85.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -112.35 169.51 8.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.547 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 5.9 ttm105 -87.73 -45.29 10.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.5 m -49.44 -47.03 48.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.804 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -61.83 -43.54 98.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.6 tp -55.02 -58.25 8.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -47.42 -39.54 15.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 92.7 m -64.88 -37.57 88.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -70.72 -35.76 72.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -55.13 -14.08 1.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -57.55 -24.08 54.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 25.6 pt -75.99 -10.51 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.578 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 77.2 m-70 -117.9 -66.19 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.2 p 47.06 36.75 4.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.76 -161.17 28.11 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.458 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -84.23 120.04 25.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.949 0.404 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -63.55 143.99 97.81 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.583 0.706 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 143.97 52.38 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.327 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.7 t -139.19 141.18 37.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 160.42 -75.51 0.19 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -8.89 24.76 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.707 2.271 . . . . 0.0 112.302 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.1 m -49.08 122.4 5.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 52.4 p -139.72 154.21 47.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.813 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.477 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 3' ' ' SER . 58.0 m -154.73 176.58 12.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.859 -179.743 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 2' ' ' SER . 6.2 m -35.07 -60.48 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 44.46 -124.63 5.71 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.515 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p -91.42 107.71 19.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.902 0.382 . . . . 0.0 110.806 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.5 t -114.43 114.34 25.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.21 155.78 13.76 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.484 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.0 p -70.03 -41.64 74.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.819 0.342 . . . . 0.0 111.131 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 137.37 111.5 1.06 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.484 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -118.64 85.85 2.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.925 0.393 . . . . 0.0 110.894 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.0 mttt -145.55 157.5 51.94 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.562 0.696 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.542 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.78 -27.22 26.66 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.682 2.255 . . . . 0.0 112.326 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.542 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 37.0 m-85 -108.1 153.3 23.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.974 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.407 ' CG ' ' O ' ' A' ' 20' ' ' LYS . 44.7 ttp180 -156.54 151.78 26.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.6 t -83.96 122.27 28.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.02 29.91 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.112 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -125.19 -53.97 1.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.5 p -106.79 -43.14 4.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.04 38.8 0.85 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.407 ' O ' ' CG ' ' A' ' 14' ' ' ARG . 57.1 tttm -94.38 162.48 13.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.813 0.339 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.12 144.05 40.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.117 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.42 ' CD1' HD13 ' A' ' 28' ' ' LEU . 96.5 m-85 -139.42 132.65 29.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 t -67.79 -32.61 73.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.158 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.506 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 13.7 t70 -124.81 170.9 10.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.442 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 8.4 tpp85 -87.32 -47.77 8.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.4 p -44.77 -42.42 7.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.803 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -69.05 -43.53 74.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.42 HD13 ' CD1' ' A' ' 22' ' ' PHE . 37.8 tp -54.3 -47.48 72.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -53.98 -47.84 70.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.513 HG23 ' HE2' ' A' ' 33' ' ' LYS . 99.8 m -55.67 -41.37 73.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.418 ' C ' ' N ' ' A' ' 33' ' ' LYS . 46.8 t60 -66.68 -47.86 71.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.631 ' O ' HG23 ' A' ' 36' ' ' THR . 31.6 mt-30 -43.57 -22.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.513 ' HE2' HG23 ' A' ' 30' ' ' THR . 52.9 mtmt -51.27 -48.31 62.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.418 HD11 ' CE1' ' A' ' 31' ' ' HIS . 5.9 pt -60.65 -9.24 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -113.01 -11.96 13.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.82 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.631 HG23 ' O ' ' A' ' 32' ' ' GLN . 70.9 p -91.74 47.94 1.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -178.4 -72.76 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.487 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -136.86 117.11 13.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.907 0.384 . . . . 0.0 110.929 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.7 ptpt -92.92 140.56 23.54 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.622 0.725 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -37.46 9.09 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.704 2.269 . . . . 0.0 112.3 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 62.8 p -43.31 163.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.836 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -153.45 -95.05 0.11 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 100.6 0.83 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.676 2.251 . . . . 0.0 112.333 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.6 m -156.03 167.5 30.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.6 p -155.09 175.68 13.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.513 -179.952 . . . . . . . . 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 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 t -121.78 154.28 37.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.841 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -111.62 167.19 10.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.825 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.75 -152.6 25.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.9 m -136.44 132.42 35.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.92 0.391 . . . . 0.0 110.879 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.1 p -152.42 145.03 24.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.856 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.93 75.49 1.49 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.3 p -136.29 171.92 13.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.815 0.34 . . . . 0.0 111.168 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.11 -174.83 21.7 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.452 ' HG2' ' N ' ' A' ' 11' ' ' LYS . 33.8 tt0 -139.23 153.45 47.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.875 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.791 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 12.9 mptt -96.2 150.81 37.66 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.573 0.702 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -38.94 7.03 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.676 2.251 . . . . 0.0 112.366 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.529 ' CE1' ' HB3' ' A' ' 25' ' ' ARG . 51.5 m-85 -93.85 149.16 21.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.5 tpp85 -148.22 142.16 25.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.0 t -79.55 109.76 14.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.8 -0.84 7.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.069 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -90.41 -64.46 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -101.34 -48.26 4.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.52 55.42 0.26 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.487 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.425 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 31.4 tttt -109.67 151.91 26.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.788 0.328 . . . . 0.0 110.854 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.791 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -97.48 142.21 29.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.571 ' CD2' HD13 ' A' ' 28' ' ' LEU . 98.4 m-85 -138.56 123.38 18.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.1 t -67.95 -22.32 65.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.173 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -139.69 126.3 20.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.529 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 25.6 ptt180 -47.37 -41.4 19.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.8 p -46.63 -46.32 19.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -65.27 -43.35 91.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.571 HD13 ' CD2' ' A' ' 22' ' ' PHE . 44.2 tp -52.98 -55.7 21.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.959 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -47.19 -48.66 23.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 97.1 m -56.14 -33.63 65.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.151 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.565 ' CE1' HD11 ' A' ' 34' ' ' ILE . 38.1 t60 -76.08 -51.6 11.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -38.86 -26.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 31' ' ' HIS . 8.6 mtmp? -49.73 -48.6 49.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.853 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.565 HD11 ' CE1' ' A' ' 31' ' ' HIS . 6.1 pt -58.49 -17.9 10.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.079 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -95.87 -73.39 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.7 t -46.85 -20.18 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.182 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -38.21 -57.4 1.75 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.507 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -80.6 112.65 18.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.966 0.412 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.475 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 60.8 tttt -73.94 139.6 76.72 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.566 0.698 . . . . 0.0 110.924 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.475 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.7 Cg_endo -69.72 84.94 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.749 2.3 . . . . 0.0 112.307 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.3 p -66.79 141.83 57.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.9 146.42 9.15 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.46 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -35.79 11.95 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.339 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 77.4 p -134.67 127.67 31.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.829 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.0 t -81.19 -53.86 6.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.879 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.152 -0.805 . . . . 0.0 112.473 -179.997 . . . . . . . . 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 -0.318 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 m -160.4 145.52 14.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.868 0.366 . . . . 0.0 110.89 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.1 m -132.02 151.41 51.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.82 -48.49 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.491 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -82.64 80.81 8.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.866 0.365 . . . . 0.0 110.904 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 t -167.42 155.6 9.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.847 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.63 165.48 10.44 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.5 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 22.7 p -128.62 40.06 3.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.874 0.369 . . . . 0.0 111.183 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 162.63 98.64 0.13 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.475 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -135.65 167.2 21.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.906 0.384 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.454 ' HG2' ' N ' ' A' ' 23' ' ' THR . 6.3 mptt -67.64 153.91 94.21 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.55 0.69 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -28.06 25.75 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.755 2.303 . . . . 0.0 112.315 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.568 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 73.2 m-85 -102.4 161.51 13.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.406 ' HD2' ' C ' ' A' ' 14' ' ' ARG . 2.0 tmm_? -167.13 135.36 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.827 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.5 t -75.36 120.62 21.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.51 0.23 30.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.117 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.528 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 52.5 mm-40 -92.6 -50.18 5.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.7 p -108.56 -46.41 3.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.861 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.23 27.23 3.21 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.451 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.447 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 51.2 tttt -84.41 158.22 21.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.753 0.311 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.33 145.23 29.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.098 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.447 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 98.2 m-85 -143.0 124.94 15.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.454 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 9.5 t -68.33 -31.73 71.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.145 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -121.65 151.49 40.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.568 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 63.6 ttp85 -69.76 -54.47 13.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.7 m -40.12 -48.57 2.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -59.29 -45.34 91.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.0 tp -56.02 -60.74 3.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -49.2 -41.78 38.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 97.8 m -64.48 -33.2 75.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.162 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.45 ' O ' ' N ' ' A' ' 33' ' ' LYS . 9.2 t60 -73.83 -48.34 31.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -40.57 -25.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 31' ' ' HIS . 35.2 mtmt -51.12 -44.09 61.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.467 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -51.49 -25.12 4.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.137 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.528 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 82.7 m-70 -83.06 -75.03 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.0 t -44.86 -29.52 0.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.13 106.81 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.523 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -112.04 78.6 1.14 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.892 0.377 . . . . 0.0 110.845 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -148.62 140.97 14.87 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.545 0.688 . . . . 0.0 110.967 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -50.74 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.654 2.236 . . . . 0.0 112.329 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -174.04 125.91 0.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -151.13 82.75 0.18 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.476 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -4.29 13.74 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.677 2.251 . . . . 0.0 112.335 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.8 m -100.16 89.16 3.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.6 t -109.57 -54.11 2.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.161 -0.799 . . . . 0.0 112.487 -179.96 . . . . . . . . 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 -0.308 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -161.48 160.51 29.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.881 0.372 . . . . 0.0 110.868 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 m -107.94 -53.17 2.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.813 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.66 -124.23 0.76 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.8 m -67.39 82.79 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 110.849 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -60.45 -49.84 75.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.816 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 45.85 80.29 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.477 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 75.1 p -74.62 -51.95 13.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.858 0.361 . . . . 0.0 111.16 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 172.26 141.43 3.41 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -81.24 -31.54 33.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 110.843 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.701 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 1.8 mptp? -37.99 138.98 0.64 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.571 0.7 . . . . 0.0 110.914 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.512 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.77 -32.21 19.0 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.707 2.271 . . . . 0.0 112.325 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.512 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 47.1 m-85 -95.47 143.08 27.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.0 ttt85 -145.88 147.44 31.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 19' ' ' GLY . 6.4 t -95.3 82.48 3.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.51 -23.5 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.071 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.521 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 79.9 mm-40 -60.38 -60.45 3.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.4 p -105.55 -40.13 5.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 114.85 43.8 0.72 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.458 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -100.99 172.95 6.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.831 0.348 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.701 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -122.57 148.39 45.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -147.51 150.53 34.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.56 HG22 ' O ' ' A' ' 23' ' ' THR . 10.4 m -105.06 27.73 7.91 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -172.27 136.16 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.831 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -58.74 -50.98 71.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.5 m -51.77 -43.26 62.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -60.96 -45.06 96.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.9 tp -61.04 -59.85 4.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -49.44 -39.36 32.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 73.1 m -63.78 -39.3 93.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.173 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.472 ' O ' ' N ' ' A' ' 33' ' ' LYS . 7.7 t60 -71.26 -49.09 46.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -40.12 -25.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 31' ' ' HIS . 72.1 mttt -50.71 -44.4 58.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.433 HG13 ' CD2' ' A' ' 35' ' ' HIS . 6.3 pt -50.41 -21.05 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.521 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 79.2 m-70 -88.28 -42.31 12.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.641 HG23 ' O ' ' A' ' 36' ' ' THR . 10.1 t -102.1 79.84 1.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.52 116.75 0.4 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.537 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -114.72 147.78 39.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.912 0.387 . . . . 0.0 110.894 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -123.18 80.57 52.01 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.579 0.704 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 174.68 9.1 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.69 2.26 . . . . 0.0 112.324 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 42' ' ' GLY . 10.4 t -90.55 43.87 1.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 41' ' ' SER . . . 34.63 69.09 0.2 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -49.77 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.699 2.266 . . . . 0.0 112.328 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.0 t -107.49 -45.42 4.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.836 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t 70.65 41.63 0.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 CA-C-O 119.093 -0.837 . . . . 0.0 112.492 -179.993 . . . . . . . . 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 -0.311 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 t -106.8 -56.19 2.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.88 0.371 . . . . 0.0 110.825 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.0 p -99.36 99.97 10.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.06 -147.1 6.13 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.478 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 t -96.07 43.79 1.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.91 0.386 . . . . 0.0 110.866 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.7 m -107.02 41.99 1.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.06 59.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.484 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.6 t -69.88 145.27 52.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.81 0.338 . . . . 0.0 111.123 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.48 142.74 6.31 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.483 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -108.05 39.5 1.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.91 0.386 . . . . 0.0 110.877 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -93.48 152.53 41.03 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.559 0.695 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.514 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.5 Cg_endo -69.73 -16.49 37.7 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.647 2.232 . . . . 0.0 112.337 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.573 ' CE2' ' HA ' ' A' ' 24' ' ' ASP . 48.6 m-85 -122.3 131.04 53.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -144.05 152.25 40.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.1 t -92.06 111.43 22.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.61 -18.09 64.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.097 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.527 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 8.9 mm-40 -70.86 -59.15 2.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.9 p -100.14 -48.35 4.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.09 41.42 0.9 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.526 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -100.67 161.31 13.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.779 0.323 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.48 145.57 28.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.07 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.44 ' CD1' HD13 ' A' ' 28' ' ' LEU . 84.0 m-85 -138.99 143.63 38.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.9 p -73.17 -46.56 50.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.151 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.573 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 3.5 p-10 -131.75 176.74 8.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.878 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.525 ' HG3' ' CE1' ' A' ' 13' ' ' TYR . 27.6 mtm180 -68.65 -59.0 3.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 25' ' ' ARG . 15.4 t -34.42 -51.07 0.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -61.39 -45.34 94.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' ARG . 40.8 tp -64.72 -59.86 3.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -47.55 -40.76 19.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 86.3 m -63.0 -40.3 97.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.112 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.491 ' O ' ' N ' ' A' ' 33' ' ' LYS . 11.1 t60 -72.09 -52.83 14.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.874 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 31' ' ' HIS . 63.3 mt-30 -36.59 -29.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 31' ' ' HIS . 42.8 mttm -47.21 -48.7 24.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.485 HG13 ' N ' ' A' ' 35' ' ' HIS . 11.3 pt -44.58 -27.22 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.091 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.527 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 91.0 m-70 -88.03 -60.2 2.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.563 HG23 ' O ' ' A' ' 36' ' ' THR . 9.8 t -83.65 110.55 18.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.28 -50.92 0.72 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -52.96 179.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.912 0.387 . . . . 0.0 110.884 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -61.03 150.36 78.74 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.603 0.716 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 0.7 5.25 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.656 2.237 . . . . 0.0 112.351 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 m 63.71 52.73 2.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 115.02 -179.77 18.38 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.526 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 44' ' ' SER . 54.2 Cg_endo -69.66 0.18 5.94 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.674 2.249 . . . . 0.0 112.377 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 43' ' ' PRO . 27.9 t -35.37 122.15 0.6 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.2 p -103.06 -54.38 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.132 -0.816 . . . . 0.0 112.513 -179.985 . . . . . . . . 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 -0.356 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.1 m -94.43 -60.41 1.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.901 0.382 . . . . 0.0 110.819 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.1 t 58.42 42.06 21.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -40.18 107.82 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.4 p -52.16 102.86 0.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.899 0.38 . . . . 0.0 110.827 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -110.1 133.23 53.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.908 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.16 -114.76 1.5 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.491 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.2 t -125.75 132.25 52.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.797 0.332 . . . . 0.0 111.181 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.79 82.08 0.79 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.474 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -105.76 141.22 37.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.907 0.384 . . . . 0.0 110.886 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.584 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -90.38 149.33 40.86 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.576 0.703 . . . . 0.0 110.916 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -33.13 17.15 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.641 2.227 . . . . 0.0 112.384 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.669 ' HB3' HD22 ' A' ' 28' ' ' LEU . 51.9 m-85 -102.39 148.34 25.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.4 ttt85 -150.14 149.95 30.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.1 t -88.13 107.43 18.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.41 -9.1 16.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -83.16 -64.2 1.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.8 p -96.25 -48.75 5.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.38 28.84 1.88 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.463 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -80.09 170.15 16.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.34 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.584 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -117.2 142.52 46.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -142.2 135.76 29.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.0 p -75.92 -35.79 59.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.35 162.7 17.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -80.37 -49.92 10.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.1 m -41.42 -45.6 3.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -65.34 -51.03 63.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.669 HD22 ' HB3' ' A' ' 13' ' ' TYR . 60.1 tp -50.16 -56.54 10.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -51.31 -47.55 62.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 95.9 m -60.55 -29.27 69.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -79.66 -48.7 13.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.442 ' O ' HG23 ' A' ' 36' ' ' THR . 91.4 mt-30 -46.88 -19.86 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -52.99 -39.97 63.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.7 pt -60.23 -9.41 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -112.47 -22.04 11.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 32' ' ' GLN . 33.2 p -72.01 179.16 3.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.214 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.39 136.74 8.02 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.45 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -124.15 136.01 53.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.896 0.379 . . . . 0.0 110.883 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.432 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 52.3 tttt -103.24 139.4 20.08 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.573 0.701 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.432 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.8 Cg_endo -69.76 87.88 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.682 2.255 . . . . 0.0 112.357 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.8 t -167.23 110.84 0.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.07 83.19 0.19 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.506 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.7 Cg_endo -69.72 140.33 42.54 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.692 2.262 . . . . 0.0 112.329 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 43' ' ' PRO . 72.1 m -34.85 137.53 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.7 t -129.26 -42.78 1.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.826 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.496 179.984 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.768 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 11.6 mptt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 121.573 0.702 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.46 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.4 Cg_endo -69.76 -36.57 10.56 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.644 2.229 . . . . 0.0 112.396 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.46 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 60.9 m-85 -101.12 157.96 16.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -153.32 140.79 19.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.9 t -84.06 111.14 19.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.33 -3.13 18.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.093 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.406 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 57.5 mm-40 -87.69 -58.3 2.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.7 p -107.08 -48.47 3.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.17 34.22 0.84 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.2 tttp -87.21 152.86 21.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.768 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -105.89 140.26 39.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.452 ' CD1' HD13 ' A' ' 28' ' ' LEU . 81.8 m-85 -135.71 151.11 49.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.2 m -85.9 -38.81 17.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.193 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -126.41 147.98 49.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 28' ' ' LEU . 30.0 ttt180 -53.33 -57.43 10.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 25' ' ' ARG . 96.0 p -35.38 -43.62 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -64.99 -47.02 79.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 25' ' ' ARG . 64.1 tp -56.1 -56.4 21.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -52.75 -44.28 66.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 98.1 m -57.11 -32.7 66.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.497 ' CE1' HD11 ' A' ' 34' ' ' ILE . 38.5 t60 -79.26 -45.35 19.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -45.62 -21.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -50.24 -46.73 55.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.497 HD11 ' CE1' ' A' ' 31' ' ' HIS . 6.1 pt -65.68 -15.34 18.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.406 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 67.4 m-70 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.554 ' HD3' ' HB1' ' A' ' 21' ' ' ALA . 2.8 mptp? . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.573 0.702 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.408 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.8 -39.13 6.79 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.644 2.23 . . . . 0.0 112.325 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.559 ' CE1' ' HB3' ' A' ' 25' ' ' ARG . 74.4 m-85 -92.18 136.28 33.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.95 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.457 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 29.6 ttm-85 -142.64 149.13 38.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.457 ' N ' ' HG2' ' A' ' 14' ' ' ARG . 11.5 t -79.37 120.96 24.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.12 30.73 0.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.508 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 5.4 mm-40 -126.34 -46.72 1.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.5 p -117.64 -50.4 2.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.13 37.49 0.42 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.505 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.555 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 5.2 tptp -85.61 153.8 22.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.802 0.334 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.554 ' HB1' ' HD3' ' A' ' 11' ' ' LYS . . . -108.24 142.81 37.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.555 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 65.7 m-85 -147.33 130.77 16.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.9 p -74.06 -27.24 60.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.137 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 25' ' ' ARG . 1.7 m-20 -134.74 118.99 17.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.559 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 10.2 ptm180 -38.53 -40.94 0.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.1 p -39.14 -47.42 1.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -71.81 -40.42 69.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.407 HD13 ' CD2' ' A' ' 22' ' ' PHE . 30.6 tp -54.59 -44.16 72.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -59.45 -40.86 88.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 34.4 m -64.96 -41.85 95.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.42 ' O ' ' N ' ' A' ' 33' ' ' LYS . 5.1 t60 -68.9 -50.56 48.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -42.34 -24.62 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 31' ' ' HIS . 44.5 mttm -51.31 -47.16 62.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.4 pt -48.54 -23.72 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.508 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 90.6 m-70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.643 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 121.561 0.696 . . . . 0.0 110.885 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -32.97 17.48 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.685 2.256 . . . . 0.0 112.325 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.528 ' CE1' ' HG3' ' A' ' 25' ' ' ARG . 57.8 m-85 -102.63 143.85 31.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -150.3 155.98 40.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.856 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.3 t -92.97 131.3 38.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.14 -3.34 58.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.586 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 21.7 mp0 -88.64 -59.38 2.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.851 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.1 p -104.7 -49.55 3.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.56 39.99 0.59 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.441 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 50.4 tttt -89.64 149.79 22.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.643 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -98.85 139.54 34.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.093 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.574 ' CD1' HD13 ' A' ' 28' ' ' LEU . 51.7 m-85 -135.88 147.68 48.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.8 t -94.89 -20.88 19.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.144 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -139.25 139.19 37.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.528 ' HG3' ' CE1' ' A' ' 13' ' ' TYR . 31.6 mtt85 -50.51 -53.4 30.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.4 t -40.9 -53.64 2.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -57.11 -43.65 82.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.574 HD13 ' CD1' ' A' ' 22' ' ' PHE . 34.1 tp -61.62 -48.59 80.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -54.65 -44.16 73.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.1 m -60.68 -38.05 83.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.403 ' C ' ' N ' ' A' ' 33' ' ' LYS . 17.8 t60 -70.11 -47.96 59.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -44.88 -21.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 31' ' ' HIS . 30.5 mttm -48.03 -47.27 33.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.419 HG13 ' N ' ' A' ' 35' ' ' HIS . 11.5 pt -57.35 -23.91 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.059 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.586 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 96.0 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.844 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 1.2 mppt? . . . . . 0 C--O 1.23 0.056 0 CA-C-O 121.577 0.703 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.561 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.2 Cg_endo -69.8 -36.46 10.65 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.661 2.241 . . . . 0.0 112.305 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.561 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 39.7 m-85 -92.08 138.49 31.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.927 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.404 ' HD2' ' C ' ' A' ' 14' ' ' ARG . 6.1 tmm_? -144.85 143.33 30.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.3 t -75.97 124.41 27.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.815 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.28 20.79 2.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.075 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.568 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 6.5 mm-40 -118.29 -49.53 2.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.2 p -108.13 -50.5 3.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.78 43.74 0.48 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.3 tttt -104.31 161.05 14.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.813 0.34 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.844 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -103.95 153.5 20.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.082 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.473 ' CD1' HD13 ' A' ' 28' ' ' LEU . 90.2 m-85 -146.82 144.69 29.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.945 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 80.7 p -73.83 -43.58 58.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.111 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.411 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 3.2 t0 -125.3 154.73 41.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.52 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 23.4 ptt-85 -62.1 -34.55 76.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.0 t -57.09 -50.88 71.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -58.44 -35.45 72.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.473 HD13 ' CD1' ' A' ' 22' ' ' PHE . 44.7 tp -67.0 -53.1 34.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -52.03 -45.18 64.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 59.1 m -61.33 -33.05 72.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.153 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.407 ' C ' ' N ' ' A' ' 33' ' ' LYS . 12.1 t60 -73.78 -49.5 25.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -44.38 -22.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.407 ' N ' ' C ' ' A' ' 31' ' ' HIS . 57.8 mttm -49.96 -39.64 41.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.467 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -64.03 -25.02 37.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 78.5 m-70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.505 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.527 0.68 . . . . 0.0 110.916 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -31.96 19.58 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.698 2.265 . . . . 0.0 112.374 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.555 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 81.2 m-85 -99.48 151.55 21.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.412 ' C ' ' HD2' ' A' ' 14' ' ' ARG . 1.6 tmm_? -155.1 145.77 22.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.2 t -84.61 114.1 21.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.405 ' HA ' ' NH1' ' A' ' 14' ' ' ARG . . . -70.98 -8.07 50.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.03 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.477 ' HG3' ' CG ' ' A' ' 35' ' ' HIS . 17.1 mm-40 -82.74 -62.39 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.2 p -100.93 -48.57 4.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.23 23.67 1.92 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.52 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 74.6 mttt -76.26 161.71 28.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.774 0.321 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.505 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -110.64 148.89 31.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -145.55 135.37 23.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.829 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.9 p -72.82 -41.08 65.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.147 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -119.55 143.42 47.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.555 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 11.6 tpt180 -56.56 -52.98 62.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.1 p -40.48 -42.68 1.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -64.97 -51.04 63.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.9 tp -50.31 -47.31 55.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -55.56 -45.63 77.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.7 m -57.15 -33.07 67.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.52 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 47.2 t60 -79.83 -42.85 23.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.829 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -51.15 -17.42 0.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -51.88 -45.66 64.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -63.98 -12.23 11.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.078 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.477 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 78.4 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.521 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.62 0.724 . . . . 0.0 110.887 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.419 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.1 Cg_endo -69.73 -24.08 30.23 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.742 2.294 . . . . 0.0 112.328 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.419 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 87.8 m-85 -111.11 158.44 18.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -163.11 133.52 4.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.7 t -68.03 105.44 2.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.04 -10.27 13.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.95 -62.17 1.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.7 p -96.94 -48.1 5.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.05 33.05 1.09 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.513 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 20.9 mttp -79.7 -178.76 6.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.783 0.325 . . . . 0.0 110.885 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.521 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -131.12 134.97 47.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.079 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -136.92 151.39 49.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.7 m -86.42 -44.73 11.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.133 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -117.02 147.14 42.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.552 ' HG2' ' CD1' ' A' ' 29' ' ' PHE . 49.2 ttp180 -56.94 -48.05 79.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.2 m -45.37 -48.47 13.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -60.38 -43.59 96.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.4 tp -62.4 -59.3 5.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.552 ' CD1' ' HG2' ' A' ' 25' ' ' ARG . 6.8 m-85 -42.82 -43.54 4.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.6 m -60.33 -38.85 85.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.513 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 30.3 t60 -74.36 -50.27 19.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -42.14 -23.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 31' ' ' HIS . 90.1 mttt -49.89 -49.18 50.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.0 pt -56.23 -17.25 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.861 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.42 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 72.5 mmtt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 121.588 0.709 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -26.48 27.26 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.642 2.228 . . . . 0.0 112.324 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.581 ' CE1' ' HG3' ' A' ' 25' ' ' ARG . 85.7 m-85 -107.24 142.16 37.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -141.86 142.57 33.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.3 t -76.32 117.02 17.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.0 31.24 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.582 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 25.9 mt-10 -129.06 -43.55 1.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.7 p -119.1 -49.26 2.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.09 59.11 0.25 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.46 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.0 tttm -114.27 169.41 9.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.766 0.317 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.42 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -113.97 140.91 48.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.056 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.512 ' CD2' HD13 ' A' ' 28' ' ' LEU . 98.8 m-85 -141.07 134.8 30.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.7 t -72.42 -30.44 64.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -138.08 160.52 39.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.581 ' HG3' ' CE1' ' A' ' 13' ' ' TYR . 27.0 mtt85 -62.23 -58.94 5.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 25' ' ' ARG . 30.7 t -34.47 -52.26 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -60.38 -43.55 96.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.512 HD13 ' CD2' ' A' ' 22' ' ' PHE . 22.9 tp -62.81 -51.62 66.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -54.9 -41.2 70.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.2 m -60.22 -38.5 83.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.18 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 33' ' ' LYS . 20.1 t60 -73.12 -54.78 7.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 31' ' ' HIS . 32.5 mt-30 -35.95 -30.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 31' ' ' HIS . 63.8 mttm -47.74 -48.63 29.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.476 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -44.33 -25.28 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.582 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 72.4 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.421 ' HD3' ' HB1' ' A' ' 21' ' ' ALA . 1.9 mptm? . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.588 0.709 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.516 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.78 -26.49 27.44 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.629 2.219 . . . . 0.0 112.348 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.791 ' HB3' HD22 ' A' ' 28' ' ' LEU . 41.1 m-85 -117.92 153.95 32.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.3 ttm105 -158.52 151.93 23.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.4 t -83.13 127.39 33.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -89.54 30.13 1.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -129.82 -51.08 1.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.2 p -109.09 -47.57 3.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.16 40.75 0.67 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.508 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.573 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 45.0 mttm -89.36 157.55 18.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.854 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.421 ' HB1' ' HD3' ' A' ' 11' ' ' LYS . . . -110.01 135.69 50.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -131.03 159.71 36.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.1 p -93.39 -42.1 9.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -116.47 153.47 32.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.54 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 27.7 ttp180 -63.26 -52.56 61.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.9 t -44.21 -46.67 9.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -62.11 -42.93 99.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.791 HD22 ' HB3' ' A' ' 13' ' ' TYR . 32.3 tp -61.52 -54.37 44.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -51.82 -49.39 62.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.481 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 42.1 m -54.83 -36.32 64.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.573 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 36.0 t60 -68.43 -54.12 19.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.835 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -45.49 -22.35 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.481 ' CG ' ' O ' ' A' ' 30' ' ' THR . 36.2 mmtt -49.92 -42.17 47.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.8 pt -61.45 -24.16 32.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.113 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.883 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.512 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.601 0.715 . . . . 0.0 110.879 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.426 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.8 -26.95 26.87 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.718 2.278 . . . . 0.0 112.306 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.496 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 83.5 m-85 -102.94 150.54 23.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -151.38 139.28 19.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.5 t -77.54 118.93 20.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.419 ' C ' ' OE1' ' A' ' 17' ' ' GLU . . . -81.37 13.89 2.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.419 ' OE1' ' C ' ' A' ' 16' ' ' ALA . 1.0 OUTLIER -108.32 -50.07 3.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.5 p -111.73 -45.66 3.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.82 32.78 1.37 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.519 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.496 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 19.4 mtpp -84.23 166.35 17.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.781 0.324 . . . . 0.0 110.897 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.512 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -115.64 133.03 56.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.103 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.419 ' C ' ' HG2' ' A' ' 11' ' ' LYS . 84.6 m-85 -132.37 128.05 36.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.495 HG22 ' HE2' ' A' ' 11' ' ' LYS . 68.3 p -66.73 -39.41 87.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -112.91 166.31 11.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.496 ' HB2' ' CZ ' ' A' ' 13' ' ' TYR . 40.1 ttt180 -80.65 -53.62 6.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 t -42.67 -45.57 4.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -59.75 -42.3 92.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.7 tp -61.12 -59.4 5.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -43.37 -49.13 7.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.992 0.425 . . . . 0.0 110.928 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.441 HG23 ' HE2' ' A' ' 33' ' ' LYS . 89.6 m -58.2 -39.04 77.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.134 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.496 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 46.9 t60 -70.65 -45.2 65.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -49.8 -18.11 0.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.441 ' HE2' HG23 ' A' ' 30' ' ' THR . 32.0 mtmt -52.0 -46.33 64.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.0 pt -60.12 -9.67 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.85 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 121.547 0.689 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.482 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.5 Cg_endo -69.76 -27.12 26.83 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.685 2.257 . . . . 0.0 112.331 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.482 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 47.3 m-85 -110.69 134.34 52.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.9 ttm105 -134.35 155.81 49.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.9 t -88.59 126.06 35.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.08 25.9 1.49 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.071 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.58 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 12.1 mm-40 -122.35 -47.36 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.868 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.2 p -117.67 -49.23 2.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.84 42.36 0.41 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.476 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 13.6 mtpp -92.11 158.45 16.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.802 0.334 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.07 139.53 39.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.133 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -140.42 129.72 23.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.5 t -82.02 -21.92 36.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.181 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -126.04 142.96 51.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.406 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 5.3 ttp-105 -61.3 -56.26 22.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.0 t -44.77 -40.15 5.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -63.62 -47.99 79.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.6 tp -60.45 -58.01 10.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -49.39 -38.36 28.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 62.6 m -66.5 -34.76 78.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.136 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.476 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 8.7 t60 -76.0 -47.2 25.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.832 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -42.67 -23.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 31' ' ' HIS . 38.6 mtmt -51.8 -41.18 61.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.9 pt -56.48 -18.91 7.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.159 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.58 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 97.2 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.603 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 26.4 mttm . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.54 0.686 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -36.98 9.71 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.649 2.233 . . . . 0.0 112.343 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.603 ' CE1' ' CG ' ' A' ' 25' ' ' ARG . 74.5 m-85 -94.26 141.58 28.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.938 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.416 ' HD3' ' C ' ' A' ' 15' ' ' CYS . 0.4 OUTLIER -146.11 135.3 22.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.937 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.416 ' C ' ' HD3' ' A' ' 14' ' ' ARG . 6.2 t -73.63 109.19 6.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.15 -14.89 54.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.067 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -75.78 -66.09 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.3 p -98.52 -49.13 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.2 31.74 1.05 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.1 mtpp -73.37 -177.85 2.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.738 0.304 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.603 ' HB1' ' HD2' ' A' ' 11' ' ' LYS . . . -131.97 134.81 46.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.407 ' CA ' ' HD3' ' A' ' 11' ' ' LYS . 93.7 m-85 -139.72 138.95 36.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.7 t -81.41 -25.79 35.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -131.97 149.33 52.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.603 ' CG ' ' CE1' ' A' ' 13' ' ' TYR . 18.0 mtt-85 -58.04 -56.63 19.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 25' ' ' ARG . 15.4 t -37.78 -53.85 1.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -57.96 -40.57 80.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 25' ' ' ARG . 23.2 tp -65.12 -48.34 73.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -54.59 -43.26 71.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 59.0 m -60.59 -33.59 72.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.427 ' O ' ' N ' ' A' ' 33' ' ' LYS . 9.0 t60 -79.18 -49.23 12.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -43.16 -22.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 31' ' ' HIS . 45.8 mtmt -52.49 -40.5 62.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.481 HD11 ' NE2' ' A' ' 35' ' ' HIS . 5.8 pt -57.0 -12.33 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.481 ' NE2' HD11 ' A' ' 34' ' ' ILE . 95.6 m-70 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.461 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 121.613 0.721 . . . . 0.0 110.842 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -40.49 5.25 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.698 2.265 . . . . 0.0 112.369 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.534 ' HB3' HD22 ' A' ' 28' ' ' LEU . 65.3 m-85 -88.21 148.45 24.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -153.39 140.03 18.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 17' ' ' GLU . 11.4 t -83.13 78.89 9.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.03 -23.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 15' ' ' CYS . 8.2 mm-40 -60.95 -54.59 43.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.9 p -108.64 -42.22 4.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.91 36.71 0.94 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.543 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -89.13 -179.79 5.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.774 0.321 . . . . 0.0 110.944 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.461 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -134.88 133.98 40.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.056 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.462 ' CD1' HD13 ' A' ' 28' ' ' LEU . 97.5 m-85 -135.37 136.78 41.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.417 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 7.4 t -75.62 -28.77 58.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -122.84 158.31 30.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -74.9 -44.86 46.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.6 t -50.1 -55.2 15.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -55.59 -41.29 73.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.534 HD22 ' HB3' ' A' ' 13' ' ' TYR . 26.0 tp -59.2 -49.5 77.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -54.07 -48.32 70.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.831 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 98.0 m -55.16 -33.94 63.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -74.97 -41.21 60.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -52.83 -15.96 0.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -58.27 -20.39 41.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.3 pt -79.51 -10.8 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.146 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.821 179.877 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.49 ' HD3' ' HB1' ' A' ' 21' ' ' ALA . 10.6 mptt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.551 0.691 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -27.58 26.19 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.688 2.259 . . . . 0.0 112.342 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.555 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 68.7 m-85 -103.43 162.14 13.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -161.99 133.17 5.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 19' ' ' GLY . 7.4 t -84.66 81.97 8.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.75 -26.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.079 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.566 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 6.2 mp0 -57.26 -61.78 2.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.8 p -105.78 -39.47 6.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 114.49 33.5 1.74 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.456 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.5 mttt -87.55 157.08 19.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.785 0.326 . . . . 0.0 110.895 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.49 ' HB1' ' HD3' ' A' ' 11' ' ' LYS . . . -108.89 129.62 55.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.402 ' CD2' ' HA ' ' A' ' 28' ' ' LEU . 27.9 m-85 -125.41 135.9 52.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 60.3 p -77.21 -37.83 52.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.181 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -117.94 146.66 43.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.555 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 28.6 ttp180 -63.08 -56.46 16.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 77.6 p -41.05 -43.63 2.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.0 m-20 -64.24 -44.01 93.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.402 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 19.3 tp -58.64 -58.11 10.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -45.54 -45.26 13.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.429 HG23 ' HE2' ' A' ' 33' ' ' LYS . 86.8 m -57.19 -43.07 82.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.097 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 33' ' ' LYS . 32.7 t60 -65.74 -53.93 34.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -38.57 -26.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' HIS . 26.2 mtmt -46.93 -49.53 20.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.473 HG13 ' N ' ' A' ' 35' ' ' HIS . 8.5 pt -51.31 -26.43 5.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.566 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 91.1 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.819 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.706 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 72.4 mmtt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.562 0.696 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.415 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.5 Cg_endo -69.8 -17.2 37.55 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.702 2.268 . . . . 0.0 112.302 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.547 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 87.1 m-85 -117.88 122.99 44.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -125.83 139.39 53.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.6 t -76.33 122.93 25.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.1 30.43 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.578 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 17.4 mm-40 -126.76 -51.09 1.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.7 p -113.66 -49.02 2.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.01 27.8 0.99 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.43 ' HA ' ' NZ ' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -82.01 150.54 27.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.815 0.34 . . . . 0.0 110.909 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.706 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -108.33 144.37 35.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.057 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.409 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 97.4 m-85 -140.33 136.6 33.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 t -67.32 -38.8 85.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -112.35 169.51 8.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.547 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 5.9 ttm105 -87.73 -45.29 10.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.5 m -49.44 -47.03 48.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.804 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -61.83 -43.54 98.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.6 tp -55.02 -58.25 8.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -47.42 -39.54 15.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 92.7 m -64.88 -37.57 88.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -70.72 -35.76 72.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -55.13 -14.08 1.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -57.55 -24.08 54.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 25.6 pt -75.99 -10.51 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.578 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 77.2 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.0 mttt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.562 0.696 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.542 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.78 -27.22 26.66 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.682 2.255 . . . . 0.0 112.326 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.542 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 37.0 m-85 -108.1 153.3 23.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.974 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.407 ' CG ' ' O ' ' A' ' 20' ' ' LYS . 44.7 ttp180 -156.54 151.78 26.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.6 t -83.96 122.27 28.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.02 29.91 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.112 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -125.19 -53.97 1.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.5 p -106.79 -43.14 4.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.04 38.8 0.85 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.407 ' O ' ' CG ' ' A' ' 14' ' ' ARG . 57.1 tttm -94.38 162.48 13.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.813 0.339 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.12 144.05 40.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.117 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.42 ' CD1' HD13 ' A' ' 28' ' ' LEU . 96.5 m-85 -139.42 132.65 29.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 t -67.79 -32.61 73.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.158 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.506 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 13.7 t70 -124.81 170.9 10.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.442 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 8.4 tpp85 -87.32 -47.77 8.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.4 p -44.77 -42.42 7.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.803 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -69.05 -43.53 74.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.42 HD13 ' CD1' ' A' ' 22' ' ' PHE . 37.8 tp -54.3 -47.48 72.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -53.98 -47.84 70.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.513 HG23 ' HE2' ' A' ' 33' ' ' LYS . 99.8 m -55.67 -41.37 73.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.418 ' C ' ' N ' ' A' ' 33' ' ' LYS . 46.8 t60 -66.68 -47.86 71.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -43.57 -22.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.513 ' HE2' HG23 ' A' ' 30' ' ' THR . 52.9 mtmt -51.27 -48.31 62.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.418 HD11 ' CE1' ' A' ' 31' ' ' HIS . 5.9 pt -60.65 -9.24 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.82 179.925 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.791 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 12.9 mptt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.573 0.702 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -38.94 7.03 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.676 2.251 . . . . 0.0 112.366 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.529 ' CE1' ' HB3' ' A' ' 25' ' ' ARG . 51.5 m-85 -93.85 149.16 21.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.5 tpp85 -148.22 142.16 25.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.0 t -79.55 109.76 14.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.8 -0.84 7.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.069 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -90.41 -64.46 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -101.34 -48.26 4.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.52 55.42 0.26 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.487 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.425 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 31.4 tttt -109.67 151.91 26.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.788 0.328 . . . . 0.0 110.854 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.791 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -97.48 142.21 29.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.571 ' CD2' HD13 ' A' ' 28' ' ' LEU . 98.4 m-85 -138.56 123.38 18.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.1 t -67.95 -22.32 65.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.173 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -139.69 126.3 20.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.529 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 25.6 ptt180 -47.37 -41.4 19.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.8 p -46.63 -46.32 19.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -65.27 -43.35 91.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.571 HD13 ' CD2' ' A' ' 22' ' ' PHE . 44.2 tp -52.98 -55.7 21.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.959 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -47.19 -48.66 23.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 97.1 m -56.14 -33.63 65.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.151 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.565 ' CE1' HD11 ' A' ' 34' ' ' ILE . 38.1 t60 -76.08 -51.6 11.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -38.86 -26.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 31' ' ' HIS . 8.6 mtmp? -49.73 -48.6 49.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.853 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.565 HD11 ' CE1' ' A' ' 31' ' ' HIS . 6.1 pt -58.49 -17.9 10.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.079 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.863 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.454 ' HG2' ' N ' ' A' ' 23' ' ' THR . 6.3 mptt . . . . . 0 C--O 1.231 0.132 0 CA-C-O 121.55 0.69 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -28.06 25.75 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.755 2.303 . . . . 0.0 112.315 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.568 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 73.2 m-85 -102.4 161.51 13.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.406 ' HD2' ' C ' ' A' ' 14' ' ' ARG . 2.0 tmm_? -167.13 135.36 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.827 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.5 t -75.36 120.62 21.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.51 0.23 30.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.117 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.528 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 52.5 mm-40 -92.6 -50.18 5.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.7 p -108.56 -46.41 3.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.861 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.23 27.23 3.21 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.451 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.447 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 51.2 tttt -84.41 158.22 21.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.753 0.311 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.33 145.23 29.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.098 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.447 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 98.2 m-85 -143.0 124.94 15.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.454 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 9.5 t -68.33 -31.73 71.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.145 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -121.65 151.49 40.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.568 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 63.6 ttp85 -69.76 -54.47 13.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.7 m -40.12 -48.57 2.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -59.29 -45.34 91.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.0 tp -56.02 -60.74 3.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -49.2 -41.78 38.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 97.8 m -64.48 -33.2 75.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.162 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.45 ' O ' ' N ' ' A' ' 33' ' ' LYS . 9.2 t60 -73.83 -48.34 31.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -40.57 -25.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 31' ' ' HIS . 35.2 mtmt -51.12 -44.09 61.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.467 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -51.49 -25.12 4.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.137 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.528 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 82.7 m-70 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.701 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 1.8 mptp? . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.571 0.7 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.512 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.77 -32.21 19.0 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.707 2.271 . . . . 0.0 112.325 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.512 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 47.1 m-85 -95.47 143.08 27.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.0 ttt85 -145.88 147.44 31.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 19' ' ' GLY . 6.4 t -95.3 82.48 3.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.51 -23.5 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.071 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.521 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 79.9 mm-40 -60.38 -60.45 3.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.4 p -105.55 -40.13 5.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 114.85 43.8 0.72 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.458 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -100.99 172.95 6.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.831 0.348 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.701 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -122.57 148.39 45.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -147.51 150.53 34.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.56 HG22 ' O ' ' A' ' 23' ' ' THR . 10.4 m -105.06 27.73 7.91 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -172.27 136.16 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.831 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -58.74 -50.98 71.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.5 m -51.77 -43.26 62.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -60.96 -45.06 96.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.9 tp -61.04 -59.85 4.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -49.44 -39.36 32.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 73.1 m -63.78 -39.3 93.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.173 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.472 ' O ' ' N ' ' A' ' 33' ' ' LYS . 7.7 t60 -71.26 -49.09 46.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -40.12 -25.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 31' ' ' HIS . 72.1 mttt -50.71 -44.4 58.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.433 HG13 ' CD2' ' A' ' 35' ' ' HIS . 6.3 pt -50.41 -21.05 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.521 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 79.2 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.559 0.695 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.514 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.5 Cg_endo -69.73 -16.49 37.7 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.647 2.232 . . . . 0.0 112.337 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.573 ' CE2' ' HA ' ' A' ' 24' ' ' ASP . 48.6 m-85 -122.3 131.04 53.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -144.05 152.25 40.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.1 t -92.06 111.43 22.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.61 -18.09 64.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.097 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.527 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 8.9 mm-40 -70.86 -59.15 2.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.9 p -100.14 -48.35 4.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.09 41.42 0.9 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.526 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -100.67 161.31 13.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.779 0.323 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.48 145.57 28.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.07 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.44 ' CD1' HD13 ' A' ' 28' ' ' LEU . 84.0 m-85 -138.99 143.63 38.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.9 p -73.17 -46.56 50.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.151 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.573 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 3.5 p-10 -131.75 176.74 8.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.878 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.525 ' HG3' ' CE1' ' A' ' 13' ' ' TYR . 27.6 mtm180 -68.65 -59.0 3.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 25' ' ' ARG . 15.4 t -34.42 -51.07 0.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -61.39 -45.34 94.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' ARG . 40.8 tp -64.72 -59.86 3.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -47.55 -40.76 19.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 86.3 m -63.0 -40.3 97.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.112 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.491 ' O ' ' N ' ' A' ' 33' ' ' LYS . 11.1 t60 -72.09 -52.83 14.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.874 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 31' ' ' HIS . 63.3 mt-30 -36.59 -29.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 31' ' ' HIS . 42.8 mttm -47.21 -48.7 24.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.485 HG13 ' N ' ' A' ' 35' ' ' HIS . 11.3 pt -44.58 -27.22 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.091 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.527 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 91.0 m-70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.584 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.576 0.703 . . . . 0.0 110.916 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -33.13 17.15 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.641 2.227 . . . . 0.0 112.384 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.669 ' HB3' HD22 ' A' ' 28' ' ' LEU . 51.9 m-85 -102.39 148.34 25.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.4 ttt85 -150.14 149.95 30.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.1 t -88.13 107.43 18.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.41 -9.1 16.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -83.16 -64.2 1.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.8 p -96.25 -48.75 5.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.38 28.84 1.88 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.463 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -80.09 170.15 16.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.34 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.584 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -117.2 142.52 46.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -142.2 135.76 29.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.0 p -75.92 -35.79 59.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.35 162.7 17.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -80.37 -49.92 10.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.1 m -41.42 -45.6 3.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -65.34 -51.03 63.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.669 HD22 ' HB3' ' A' ' 13' ' ' TYR . 60.1 tp -50.16 -56.54 10.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -51.31 -47.55 62.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 95.9 m -60.55 -29.27 69.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -79.66 -48.7 13.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -46.88 -19.86 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -52.99 -39.97 63.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.7 pt -60.23 -9.41 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.871 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.2 p -83.23 44.21 0.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.86 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.3 m -82.5 170.2 15.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.843 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.33 148.91 5.45 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 m -85.81 -54.22 4.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.892 0.377 . . . . 0.0 110.848 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 t -46.04 118.69 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.829 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 8' ' ' THR . . . 167.63 -94.4 0.11 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.415 HG23 ' N ' ' A' ' 9' ' ' GLY . 10.2 t -37.1 -41.14 0.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.833 0.349 . . . . 0.0 111.171 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.415 ' N ' HG23 ' A' ' 8' ' ' THR . . . -160.0 144.5 10.14 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -109.12 87.02 2.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.991 0.425 . . . . 0.0 110.912 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.768 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 11.6 mptt -101.42 146.85 32.91 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.573 0.702 . . . . 0.0 110.925 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.46 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.4 Cg_endo -69.76 -36.57 10.56 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.644 2.229 . . . . 0.0 112.396 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.46 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 60.9 m-85 -101.12 157.96 16.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -153.32 140.79 19.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.9 t -84.06 111.14 19.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.33 -3.13 18.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.093 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.406 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 57.5 mm-40 -87.69 -58.3 2.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.7 p -107.08 -48.47 3.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.17 34.22 0.84 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.2 tttp -87.21 152.86 21.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.768 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -105.89 140.26 39.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.452 ' CD1' HD13 ' A' ' 28' ' ' LEU . 81.8 m-85 -135.71 151.11 49.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.2 m -85.9 -38.81 17.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.193 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -126.41 147.98 49.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 28' ' ' LEU . 30.0 ttt180 -53.33 -57.43 10.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 25' ' ' ARG . 96.0 p -35.38 -43.62 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -64.99 -47.02 79.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 25' ' ' ARG . 64.1 tp -56.1 -56.4 21.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -52.75 -44.28 66.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 98.1 m -57.11 -32.7 66.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.497 ' CE1' HD11 ' A' ' 34' ' ' ILE . 38.5 t60 -79.26 -45.35 19.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -45.62 -21.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -50.24 -46.73 55.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.497 HD11 ' CE1' ' A' ' 31' ' ' HIS . 6.1 pt -65.68 -15.34 18.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.406 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 67.4 m-70 -92.38 -49.91 5.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.8 t -86.08 48.19 1.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -162.49 36.78 0.35 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.517 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -150.85 152.26 33.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.887 0.375 . . . . 0.0 110.894 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -46.42 143.81 3.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.564 0.697 . . . . 0.0 110.956 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 172.26 12.92 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.716 2.277 . . . . 0.0 112.343 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.9 m -117.74 174.95 5.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.818 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -155.35 146.03 13.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.481 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 44' ' ' SER . 54.2 Cg_endo -69.72 126.68 13.62 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.663 2.242 . . . . 0.0 112.394 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 43' ' ' PRO . 12.5 m 35.23 46.55 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 t -155.18 117.52 4.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.476 -179.997 . . . . . . . . 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 -0.344 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -154.82 150.52 27.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.926 0.394 . . . . 0.0 110.848 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.4 p -114.12 156.92 23.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 110.8 -158.03 14.62 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.455 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 4' ' ' GLY . 4.8 t 34.52 42.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.862 0.363 . . . . 0.0 110.832 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.9 m -86.27 -48.86 8.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.04 -157.83 24.08 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.529 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.9 m -87.02 122.95 31.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.857 0.361 . . . . 0.0 111.177 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 145.61 50.58 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -126.75 179.06 5.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.944 0.402 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.554 ' HD3' ' HB1' ' A' ' 21' ' ' ALA . 2.8 mptp? -103.69 144.13 28.05 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.573 0.702 . . . . 0.0 110.926 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.408 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.8 -39.13 6.79 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.644 2.23 . . . . 0.0 112.325 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.559 ' CE1' ' HB3' ' A' ' 25' ' ' ARG . 74.4 m-85 -92.18 136.28 33.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.95 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.457 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 29.6 ttm-85 -142.64 149.13 38.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.457 ' N ' ' HG2' ' A' ' 14' ' ' ARG . 11.5 t -79.37 120.96 24.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.12 30.73 0.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.508 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 5.4 mm-40 -126.34 -46.72 1.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.5 p -117.64 -50.4 2.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.13 37.49 0.42 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.505 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.555 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 5.2 tptp -85.61 153.8 22.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.802 0.334 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.554 ' HB1' ' HD3' ' A' ' 11' ' ' LYS . . . -108.24 142.81 37.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.555 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 65.7 m-85 -147.33 130.77 16.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.9 p -74.06 -27.24 60.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.137 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 25' ' ' ARG . 1.7 m-20 -134.74 118.99 17.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.559 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 10.2 ptm180 -38.53 -40.94 0.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.1 p -39.14 -47.42 1.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -71.81 -40.42 69.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.407 HD13 ' CD2' ' A' ' 22' ' ' PHE . 30.6 tp -54.59 -44.16 72.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -59.45 -40.86 88.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 34.4 m -64.96 -41.85 95.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.42 ' O ' ' N ' ' A' ' 33' ' ' LYS . 5.1 t60 -68.9 -50.56 48.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -42.34 -24.62 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 31' ' ' HIS . 44.5 mttm -51.31 -47.16 62.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.4 pt -48.54 -23.72 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.508 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 90.6 m-70 -90.48 -67.76 0.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.18 118.13 8.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -144.64 -133.67 2.68 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.513 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -133.79 170.81 15.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.918 0.39 . . . . 0.0 110.907 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm -92.27 144.01 28.33 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.577 0.704 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -2.44 10.17 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.665 2.244 . . . . 0.0 112.319 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.3 m -47.82 -49.96 27.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.844 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.79 83.39 0.1 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.539 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 2.8 3.2 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.706 2.271 . . . . 0.0 112.336 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.7 p 56.03 42.49 28.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.821 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.2 m -128.28 79.67 1.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 CA-C-O 119.197 -0.779 . . . . 0.0 112.502 -179.967 . . . . . . . . 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 -0.318 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -153.53 166.92 31.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.903 0.383 . . . . 0.0 110.857 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 t 63.01 44.11 6.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.847 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.66 62.35 3.04 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.1 p -111.75 161.63 16.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.906 0.384 . . . . 0.0 110.839 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t -60.42 158.75 11.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.32 127.47 2.95 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.553 ' O ' HG22 ' A' ' 8' ' ' THR . 18.0 m -98.8 40.47 1.2 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.802 0.334 . . . . 0.0 111.128 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -121.83 72.17 0.38 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -104.43 118.26 36.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.876 0.37 . . . . 0.0 110.874 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.643 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.9 OUTLIER -78.97 143.54 61.88 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.561 0.696 . . . . 0.0 110.885 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -32.97 17.48 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.685 2.256 . . . . 0.0 112.325 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.528 ' CE1' ' HG3' ' A' ' 25' ' ' ARG . 57.8 m-85 -102.63 143.85 31.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -150.3 155.98 40.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.856 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.3 t -92.97 131.3 38.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.14 -3.34 58.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.586 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 21.7 mp0 -88.64 -59.38 2.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.851 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.1 p -104.7 -49.55 3.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.56 39.99 0.59 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.441 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 50.4 tttt -89.64 149.79 22.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.643 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -98.85 139.54 34.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.093 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.574 ' CD1' HD13 ' A' ' 28' ' ' LEU . 51.7 m-85 -135.88 147.68 48.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.8 t -94.89 -20.88 19.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.144 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -139.25 139.19 37.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.528 ' HG3' ' CE1' ' A' ' 13' ' ' TYR . 31.6 mtt85 -50.51 -53.4 30.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.4 t -40.9 -53.64 2.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -57.11 -43.65 82.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.574 HD13 ' CD1' ' A' ' 22' ' ' PHE . 34.1 tp -61.62 -48.59 80.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -54.65 -44.16 73.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.1 m -60.68 -38.05 83.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.403 ' C ' ' N ' ' A' ' 33' ' ' LYS . 17.8 t60 -70.11 -47.96 59.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -44.88 -21.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 31' ' ' HIS . 30.5 mttm -48.03 -47.27 33.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.419 HG13 ' N ' ' A' ' 35' ' ' HIS . 11.5 pt -57.35 -23.91 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.059 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.586 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 96.0 m-70 -93.55 31.47 1.54 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.3 t -174.02 136.12 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.178 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -171.67 47.76 0.18 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.494 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -119.09 108.42 14.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.887 0.375 . . . . 0.0 110.907 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -116.26 78.5 8.09 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.555 0.693 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -3.07 11.31 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.712 2.275 . . . . 0.0 112.348 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 m -85.05 43.24 0.99 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.25 66.67 0.74 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -6.8 19.49 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.685 2.256 . . . . 0.0 112.302 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.5 m -113.25 162.71 15.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 47.5 t -40.25 108.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.1 -0.833 . . . . 0.0 112.499 -179.968 . . . . . . . . 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 1.451 -0.349 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -126.3 156.46 40.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.895 0.379 . . . . 0.0 110.873 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.1 p 44.68 43.34 6.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.61 -103.09 1.04 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.497 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -58.16 175.68 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.8 p -131.96 161.36 33.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.48 -66.42 0.11 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.455 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.8 t -44.96 125.97 5.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 111.178 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.48 93.13 1.34 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -102.77 -36.95 8.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.948 0.404 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.844 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 1.2 mppt? -78.12 143.93 66.37 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.577 0.703 . . . . 0.0 110.913 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.561 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.2 Cg_endo -69.8 -36.46 10.65 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.661 2.241 . . . . 0.0 112.305 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.561 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 39.7 m-85 -92.08 138.49 31.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.927 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.404 ' HD2' ' C ' ' A' ' 14' ' ' ARG . 6.1 tmm_? -144.85 143.33 30.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.3 t -75.97 124.41 27.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.815 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.28 20.79 2.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.075 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.568 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 6.5 mm-40 -118.29 -49.53 2.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.2 p -108.13 -50.5 3.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.78 43.74 0.48 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.3 tttt -104.31 161.05 14.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.813 0.34 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.844 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -103.95 153.5 20.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.082 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.473 ' CD1' HD13 ' A' ' 28' ' ' LEU . 90.2 m-85 -146.82 144.69 29.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.945 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 80.7 p -73.83 -43.58 58.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.111 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.411 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 3.2 t0 -125.3 154.73 41.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.52 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 23.4 ptt-85 -62.1 -34.55 76.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.0 t -57.09 -50.88 71.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -58.44 -35.45 72.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.473 HD13 ' CD1' ' A' ' 22' ' ' PHE . 44.7 tp -67.0 -53.1 34.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -52.03 -45.18 64.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 59.1 m -61.33 -33.05 72.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.153 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.407 ' C ' ' N ' ' A' ' 33' ' ' LYS . 12.1 t60 -73.78 -49.5 25.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -44.38 -22.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.407 ' N ' ' C ' ' A' ' 31' ' ' HIS . 57.8 mttm -49.96 -39.64 41.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.467 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -64.03 -25.02 37.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 78.5 m-70 -80.56 -74.98 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 37' ' ' GLY . 2.6 t -46.67 -37.98 9.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 36' ' ' THR . . . 37.86 -144.58 0.18 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.499 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -124.42 155.55 38.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.897 0.38 . . . . 0.0 110.879 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.24 143.93 51.38 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.545 0.688 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 136.11 32.06 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.669 2.246 . . . . 0.0 112.319 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.5 t -98.75 77.36 2.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.53 -158.17 16.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -3.36 11.83 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.669 2.246 . . . . 0.0 112.397 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.9 t -87.47 137.18 32.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.1 t -118.31 43.77 2.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 CA-C-O 119.173 -0.793 . . . . 0.0 112.477 -179.965 . . . . . . . . 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 -0.335 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.3 m -98.91 110.21 22.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.884 0.373 . . . . 0.0 110.822 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -132.54 144.91 50.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.843 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.53 -140.45 2.89 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 6' ' ' SER . 25.3 p -118.91 156.66 29.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.9 0.381 . . . . 0.0 110.887 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 5' ' ' SER . 44.4 t -36.38 -50.11 0.74 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.834 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.26 121.44 6.32 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.453 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.3 m -57.56 -55.96 28.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.816 0.341 . . . . 0.0 111.171 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.0 116.8 0.8 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.51 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.418 ' C ' ' HE3' ' A' ' 11' ' ' LYS . 13.6 tt0 -98.9 28.16 4.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.952 0.406 . . . . 0.0 110.877 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.505 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -93.46 154.66 41.25 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.527 0.68 . . . . 0.0 110.916 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -31.96 19.58 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.698 2.265 . . . . 0.0 112.374 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.555 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 81.2 m-85 -99.48 151.55 21.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.412 ' C ' ' HD2' ' A' ' 14' ' ' ARG . 1.6 tmm_? -155.1 145.77 22.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.2 t -84.61 114.1 21.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.405 ' HA ' ' NH1' ' A' ' 14' ' ' ARG . . . -70.98 -8.07 50.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.03 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.477 ' HG3' ' CG ' ' A' ' 35' ' ' HIS . 17.1 mm-40 -82.74 -62.39 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.2 p -100.93 -48.57 4.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.23 23.67 1.92 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.52 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 74.6 mttt -76.26 161.71 28.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.774 0.321 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.505 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -110.64 148.89 31.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -145.55 135.37 23.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.829 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.9 p -72.82 -41.08 65.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.147 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -119.55 143.42 47.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.555 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 11.6 tpt180 -56.56 -52.98 62.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.1 p -40.48 -42.68 1.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -64.97 -51.04 63.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.9 tp -50.31 -47.31 55.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -55.56 -45.63 77.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.7 m -57.15 -33.07 67.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.52 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 47.2 t60 -79.83 -42.85 23.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.829 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -51.15 -17.42 0.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -51.88 -45.66 64.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -63.98 -12.23 11.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.078 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.477 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 78.4 m-70 -99.01 -48.71 4.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.461 ' O ' ' CG2' ' A' ' 36' ' ' THR . 1.4 t -90.14 124.47 34.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 130.11 -171.92 20.35 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.445 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -133.13 133.86 43.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.889 0.376 . . . . 0.0 110.914 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.15 144.27 29.08 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.559 0.695 . . . . 0.0 110.947 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 110.16 2.48 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.373 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.3 t -45.87 -64.82 0.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.12 146.58 8.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -0.56 7.1 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.688 2.259 . . . . 0.0 112.291 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 52.1 p -121.83 177.23 5.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.87 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.4 m -152.15 114.57 4.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.461 179.99 . . . . . . . . 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 -0.323 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.2 p -157.93 140.57 14.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 0.0 110.876 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.2 p -138.83 166.7 23.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.6 78.17 1.36 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.465 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 p -102.98 99.65 9.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.932 0.396 . . . . 0.0 110.823 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.2 t -114.56 133.07 56.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.06 44.03 3.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.3 t -113.85 40.67 2.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.857 0.36 . . . . 0.0 111.144 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 165.33 48.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.499 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -115.94 -32.22 5.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.933 0.397 . . . . 0.0 110.875 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.521 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -65.63 143.91 98.75 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.62 0.724 . . . . 0.0 110.887 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.419 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.1 Cg_endo -69.73 -24.08 30.23 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.742 2.294 . . . . 0.0 112.328 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.419 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 87.8 m-85 -111.11 158.44 18.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -163.11 133.52 4.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.7 t -68.03 105.44 2.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.04 -10.27 13.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.95 -62.17 1.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.7 p -96.94 -48.1 5.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.05 33.05 1.09 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.513 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 20.9 mttp -79.7 -178.76 6.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.783 0.325 . . . . 0.0 110.885 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.521 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -131.12 134.97 47.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.079 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -136.92 151.39 49.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.7 m -86.42 -44.73 11.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.133 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -117.02 147.14 42.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.552 ' HG2' ' CD1' ' A' ' 29' ' ' PHE . 49.2 ttp180 -56.94 -48.05 79.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.2 m -45.37 -48.47 13.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -60.38 -43.59 96.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.4 tp -62.4 -59.3 5.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.552 ' CD1' ' HG2' ' A' ' 25' ' ' ARG . 6.8 m-85 -42.82 -43.54 4.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.6 m -60.33 -38.85 85.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.513 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 30.3 t60 -74.36 -50.27 19.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -42.14 -23.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 31' ' ' HIS . 90.1 mttt -49.89 -49.18 50.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.0 pt -56.23 -17.25 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -97.72 -51.28 4.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.9 t -85.49 45.51 1.2 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.36 52.79 0.78 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.1 tp10 -110.59 120.26 41.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.968 0.413 . . . . 0.0 110.899 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.7 146.96 72.92 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.594 0.711 . . . . 0.0 110.907 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 -37.71 8.91 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.73 2.287 . . . . 0.0 112.335 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.4 m -145.53 146.75 31.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 150.31 81.13 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 87.02 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.645 2.23 . . . . 0.0 112.365 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.7 m -162.24 140.64 8.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.1 t -130.98 142.9 50.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.181 -0.788 . . . . 0.0 112.529 179.962 . . . . . . . . 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 -0.342 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.7 m -72.57 -62.17 1.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.934 0.397 . . . . 0.0 110.89 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -118.28 165.89 13.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.73 72.76 0.33 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t -91.73 42.23 1.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.88 0.371 . . . . 0.0 110.86 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.7 m -102.13 42.28 1.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.841 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.5 100.51 1.56 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.5 m -128.87 95.93 4.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.871 0.367 . . . . 0.0 111.119 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 137.97 140.96 4.11 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.465 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -115.71 -38.76 3.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.947 0.404 . . . . 0.0 110.902 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.42 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 72.5 mmtt -114.54 154.03 46.64 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.588 0.709 . . . . 0.0 110.871 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -26.48 27.26 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.642 2.228 . . . . 0.0 112.324 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.581 ' CE1' ' HG3' ' A' ' 25' ' ' ARG . 85.7 m-85 -107.24 142.16 37.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -141.86 142.57 33.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.3 t -76.32 117.02 17.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.0 31.24 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.582 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 25.9 mt-10 -129.06 -43.55 1.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.7 p -119.1 -49.26 2.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.09 59.11 0.25 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.46 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.0 tttm -114.27 169.41 9.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.766 0.317 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.42 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -113.97 140.91 48.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.056 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.512 ' CD2' HD13 ' A' ' 28' ' ' LEU . 98.8 m-85 -141.07 134.8 30.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.7 t -72.42 -30.44 64.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -138.08 160.52 39.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.581 ' HG3' ' CE1' ' A' ' 13' ' ' TYR . 27.0 mtt85 -62.23 -58.94 5.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 25' ' ' ARG . 30.7 t -34.47 -52.26 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -60.38 -43.55 96.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.512 HD13 ' CD2' ' A' ' 22' ' ' PHE . 22.9 tp -62.81 -51.62 66.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -54.9 -41.2 70.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.2 m -60.22 -38.5 83.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.18 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 33' ' ' LYS . 20.1 t60 -73.12 -54.78 7.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 31' ' ' HIS . 32.5 mt-30 -35.95 -30.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 31' ' ' HIS . 63.8 mttm -47.74 -48.63 29.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.476 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -44.33 -25.28 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.582 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 72.4 m-70 -82.51 -37.97 24.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.409 ' O ' HG23 ' A' ' 36' ' ' THR . 15.1 t -121.25 37.97 4.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.173 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . -91.57 41.96 2.83 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.45 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 37' ' ' GLY . 20.0 tt0 34.89 43.89 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.908 0.385 . . . . 0.0 110.888 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.8 mmtm -95.55 143.02 25.4 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.556 0.693 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -174.31 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.636 2.224 . . . . 0.0 112.357 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.1 p -115.41 152.86 32.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.857 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.78 175.13 22.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.493 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 86.61 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.623 2.216 . . . . 0.0 112.389 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.1 t -74.31 118.18 16.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.4 t -174.08 144.45 0.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.836 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.45 -179.993 . . . . . . . . 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 1.451 -0.314 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.9 p -152.61 119.93 5.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.894 0.378 . . . . 0.0 110.852 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.2 p -153.56 124.11 7.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.57 63.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.3 p -86.62 -45.71 10.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.887 0.375 . . . . 0.0 110.858 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.3 p -96.54 121.47 38.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.04 55.17 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.5 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.8 p -139.81 147.3 40.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.862 0.363 . . . . 0.0 111.093 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 152.6 -62.93 0.38 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.491 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 63.55 48.22 3.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.919 0.39 . . . . 0.0 110.873 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.421 ' HD3' ' HB1' ' A' ' 21' ' ' ALA . 1.9 mptm? -80.5 143.88 56.12 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.588 0.709 . . . . 0.0 110.867 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.516 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.78 -26.49 27.44 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.629 2.219 . . . . 0.0 112.348 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.791 ' HB3' HD22 ' A' ' 28' ' ' LEU . 41.1 m-85 -117.92 153.95 32.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.3 ttm105 -158.52 151.93 23.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.4 t -83.13 127.39 33.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -89.54 30.13 1.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -129.82 -51.08 1.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.2 p -109.09 -47.57 3.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.16 40.75 0.67 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.508 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.573 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 45.0 mttm -89.36 157.55 18.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.854 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.421 ' HB1' ' HD3' ' A' ' 11' ' ' LYS . . . -110.01 135.69 50.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -131.03 159.71 36.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.1 p -93.39 -42.1 9.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -116.47 153.47 32.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.54 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 27.7 ttp180 -63.26 -52.56 61.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.9 t -44.21 -46.67 9.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -62.11 -42.93 99.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.791 HD22 ' HB3' ' A' ' 13' ' ' TYR . 32.3 tp -61.52 -54.37 44.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -51.82 -49.39 62.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.481 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 42.1 m -54.83 -36.32 64.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.573 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 36.0 t60 -68.43 -54.12 19.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.835 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -45.49 -22.35 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.481 ' CG ' ' O ' ' A' ' 30' ' ' THR . 36.2 mmtt -49.92 -42.17 47.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.8 pt -61.45 -24.16 32.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.113 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -90.96 -50.4 5.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.5 t -118.47 134.36 55.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 163.11 -179.37 38.36 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.472 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -109.05 26.21 10.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.937 0.399 . . . . 0.0 110.881 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.2 mtmm -144.48 143.93 23.45 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.572 0.701 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 41' ' ' SER . 53.3 Cg_endo -69.76 -49.48 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.65 2.233 . . . . 0.0 112.291 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 40' ' ' PRO . 85.8 p 34.55 43.45 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -108.04 83.42 0.33 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -172.18 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.642 2.228 . . . . 0.0 112.367 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 45' ' ' SER . 1.1 t -72.83 146.41 46.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 44' ' ' SER . 8.0 t -36.86 145.3 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.465 -179.954 . . . . . . . . 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 1.451 -0.341 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -146.22 133.11 20.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.804 0.335 . . . . 0.0 110.89 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -132.74 108.62 9.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.28 87.83 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 t -84.6 -47.97 9.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.897 0.38 . . . . 0.0 110.851 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.0 p -85.23 113.54 21.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.847 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.89 47.47 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.497 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.0 p -114.47 42.12 2.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.8 0.333 . . . . 0.0 111.131 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -145.76 129.74 3.52 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.53 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -86.76 91.44 8.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.909 0.385 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.512 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -68.0 144.67 97.28 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.601 0.715 . . . . 0.0 110.879 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.426 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.8 -26.95 26.87 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.718 2.278 . . . . 0.0 112.306 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.496 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 83.5 m-85 -102.94 150.54 23.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -151.38 139.28 19.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.5 t -77.54 118.93 20.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.419 ' C ' ' OE1' ' A' ' 17' ' ' GLU . . . -81.37 13.89 2.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.419 ' OE1' ' C ' ' A' ' 16' ' ' ALA . 1.0 OUTLIER -108.32 -50.07 3.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.5 p -111.73 -45.66 3.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.82 32.78 1.37 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.519 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.496 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 19.4 mtpp -84.23 166.35 17.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.781 0.324 . . . . 0.0 110.897 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.512 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -115.64 133.03 56.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.103 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.419 ' C ' ' HG2' ' A' ' 11' ' ' LYS . 84.6 m-85 -132.37 128.05 36.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.495 HG22 ' HE2' ' A' ' 11' ' ' LYS . 68.3 p -66.73 -39.41 87.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -112.91 166.31 11.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.496 ' HB2' ' CZ ' ' A' ' 13' ' ' TYR . 40.1 ttt180 -80.65 -53.62 6.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 t -42.67 -45.57 4.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -59.75 -42.3 92.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.7 tp -61.12 -59.4 5.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -43.37 -49.13 7.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.992 0.425 . . . . 0.0 110.928 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.441 HG23 ' HE2' ' A' ' 33' ' ' LYS . 89.6 m -58.2 -39.04 77.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.134 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.496 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 46.9 t60 -70.65 -45.2 65.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -49.8 -18.11 0.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.441 ' HE2' HG23 ' A' ' 30' ' ' THR . 32.0 mtmt -52.0 -46.33 64.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.0 pt -60.12 -9.67 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -107.01 -54.47 2.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -50.98 118.6 3.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.166 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 152.54 165.35 13.18 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -79.81 141.25 36.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -157.77 148.05 15.78 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.583 0.706 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 89.62 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.691 2.26 . . . . 0.0 112.386 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.3 t -58.03 167.14 1.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.802 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 142.11 158.97 7.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 85.78 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.638 2.225 . . . . 0.0 112.369 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -139.14 165.66 26.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.7 m -145.02 164.9 29.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.494 179.996 . . . . . . . . 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 -0.34 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t 62.85 41.94 8.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.936 0.398 . . . . 0.0 110.87 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.1 t -98.57 118.14 34.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.831 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.45 -78.02 0.22 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.7 p 39.58 43.18 1.03 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.838 0.352 . . . . 0.0 110.874 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.0 m -142.64 143.23 32.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.45 -154.63 7.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.51 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 67.1 p -41.94 111.6 0.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.817 0.341 . . . . 0.0 111.138 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -169.06 52.77 0.21 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.466 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.3 tp10 -100.08 107.12 18.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.923 0.392 . . . . 0.0 110.893 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -85.87 152.1 55.99 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.547 0.689 . . . . 0.0 110.945 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.482 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.5 Cg_endo -69.76 -27.12 26.83 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.685 2.257 . . . . 0.0 112.331 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.482 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 47.3 m-85 -110.69 134.34 52.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.9 ttm105 -134.35 155.81 49.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.9 t -88.59 126.06 35.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.08 25.9 1.49 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.071 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.58 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 12.1 mm-40 -122.35 -47.36 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.868 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.2 p -117.67 -49.23 2.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.84 42.36 0.41 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.476 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 13.6 mtpp -92.11 158.45 16.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.802 0.334 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.07 139.53 39.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.133 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -140.42 129.72 23.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.5 t -82.02 -21.92 36.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.181 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -126.04 142.96 51.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.406 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 5.3 ttp-105 -61.3 -56.26 22.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.0 t -44.77 -40.15 5.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -63.62 -47.99 79.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.6 tp -60.45 -58.01 10.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -49.39 -38.36 28.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 62.6 m -66.5 -34.76 78.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.136 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.476 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 8.7 t60 -76.0 -47.2 25.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.832 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -42.67 -23.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 31' ' ' HIS . 38.6 mtmt -51.8 -41.18 61.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.9 pt -56.48 -18.91 7.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.159 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.58 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 97.2 m-70 -96.93 -65.52 0.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 35' ' ' HIS . 9.6 t 34.05 42.1 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.51 101.65 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.478 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -58.94 137.95 57.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.909 0.385 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.83 148.05 12.17 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.602 0.715 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 41' ' ' SER . 53.2 Cg_endo -69.82 153.4 68.69 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.661 2.241 . . . . 0.0 112.355 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 40' ' ' PRO . 1.6 t -37.14 114.29 0.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -168.43 70.27 0.16 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.465 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 152.14 69.27 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.652 2.235 . . . . 0.0 112.351 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.9 m -125.64 93.77 3.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.0 m -106.79 171.66 7.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.499 -179.984 . . . . . . . . 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 -0.329 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.7 p -115.83 141.88 47.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.861 0.362 . . . . 0.0 110.808 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 m -88.14 -55.66 3.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.93 177.63 18.34 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.505 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.5 m -44.76 113.02 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.1 p -89.26 111.76 22.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.83 148.89 0.1 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.2 p -119.57 90.73 3.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.847 0.356 . . . . 0.0 111.103 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 160.69 74.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.483 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -93.7 118.73 31.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.934 0.397 . . . . 0.0 110.89 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.603 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 26.4 mttm -87.02 158.13 53.33 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.54 0.686 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -36.98 9.71 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.649 2.233 . . . . 0.0 112.343 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.603 ' CE1' ' CG ' ' A' ' 25' ' ' ARG . 74.5 m-85 -94.26 141.58 28.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.938 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.416 ' HD3' ' C ' ' A' ' 15' ' ' CYS . 0.4 OUTLIER -146.11 135.3 22.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.937 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.416 ' C ' ' HD3' ' A' ' 14' ' ' ARG . 6.2 t -73.63 109.19 6.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.15 -14.89 54.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.067 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -75.78 -66.09 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.3 p -98.52 -49.13 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.2 31.74 1.05 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.1 mtpp -73.37 -177.85 2.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.738 0.304 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.603 ' HB1' ' HD2' ' A' ' 11' ' ' LYS . . . -131.97 134.81 46.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.407 ' CA ' ' HD3' ' A' ' 11' ' ' LYS . 93.7 m-85 -139.72 138.95 36.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.7 t -81.41 -25.79 35.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -131.97 149.33 52.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.603 ' CG ' ' CE1' ' A' ' 13' ' ' TYR . 18.0 mtt-85 -58.04 -56.63 19.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 25' ' ' ARG . 15.4 t -37.78 -53.85 1.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -57.96 -40.57 80.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 25' ' ' ARG . 23.2 tp -65.12 -48.34 73.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -54.59 -43.26 71.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 59.0 m -60.59 -33.59 72.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.427 ' O ' ' N ' ' A' ' 33' ' ' LYS . 9.0 t60 -79.18 -49.23 12.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -43.16 -22.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 31' ' ' HIS . 45.8 mtmt -52.49 -40.5 62.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.481 HD11 ' NE2' ' A' ' 35' ' ' HIS . 5.8 pt -57.0 -12.33 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.481 ' NE2' HD11 ' A' ' 34' ' ' ILE . 95.6 m-70 -113.11 -54.1 2.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 p -58.48 91.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.089 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.4 71.76 0.32 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -133.64 86.74 2.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.929 0.395 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.445 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 8.4 mmtp 44.71 53.88 11.92 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.585 0.707 . . . . 0.0 110.874 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.445 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 54.2 Cg_endo -69.73 -0.23 6.58 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.391 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 40' ' ' PRO . 34.2 p -36.94 -57.23 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.52 170.17 17.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.492 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 124.1 10.74 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.705 2.27 . . . . 0.0 112.33 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.0 m -109.08 44.32 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.3 t -155.57 175.5 13.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.813 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.47 179.993 . . . . . . . . 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 -0.335 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.9 t -79.53 89.28 5.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.877 0.37 . . . . 0.0 110.889 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -83.0 -47.27 11.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.888 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.76 43.84 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.4 m -115.17 173.24 6.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.857 0.36 . . . . 0.0 110.858 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.5 p -142.76 113.31 7.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.858 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.42 40.05 0.21 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.466 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.1 p -70.24 119.51 14.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.803 0.335 . . . . 0.0 111.168 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -157.4 99.18 0.18 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -106.47 67.81 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.923 0.392 . . . . 0.0 110.901 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.461 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -119.57 153.71 54.23 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.613 0.721 . . . . 0.0 110.842 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -40.49 5.25 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.698 2.265 . . . . 0.0 112.369 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.534 ' HB3' HD22 ' A' ' 28' ' ' LEU . 65.3 m-85 -88.21 148.45 24.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -153.39 140.03 18.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 17' ' ' GLU . 11.4 t -83.13 78.89 9.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.03 -23.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 15' ' ' CYS . 8.2 mm-40 -60.95 -54.59 43.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.9 p -108.64 -42.22 4.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.91 36.71 0.94 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.543 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -89.13 -179.79 5.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.774 0.321 . . . . 0.0 110.944 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.461 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -134.88 133.98 40.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.056 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.462 ' CD1' HD13 ' A' ' 28' ' ' LEU . 97.5 m-85 -135.37 136.78 41.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.417 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 7.4 t -75.62 -28.77 58.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -122.84 158.31 30.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -74.9 -44.86 46.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.6 t -50.1 -55.2 15.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -55.59 -41.29 73.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.534 HD22 ' HB3' ' A' ' 13' ' ' TYR . 26.0 tp -59.2 -49.5 77.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -54.07 -48.32 70.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.831 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 98.0 m -55.16 -33.94 63.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -74.97 -41.21 60.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -52.83 -15.96 0.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.462 ' HA ' ' CG2' ' A' ' 36' ' ' THR . 22.9 mtmt -58.27 -20.39 41.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.3 pt -79.51 -10.8 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.146 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 36' ' ' THR . 66.2 m-70 -117.44 -58.6 2.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.821 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.462 ' CG2' ' HA ' ' A' ' 33' ' ' LYS . 57.7 p 33.83 39.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 125.34 86.48 0.65 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.49 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -55.39 118.28 4.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.957 0.408 . . . . 0.0 110.873 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.5 mmtm -130.45 143.09 47.85 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.59 0.709 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 84.85 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.701 2.267 . . . . 0.0 112.355 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.0 p -107.94 43.41 1.21 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 44.56 -158.19 0.18 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.464 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 142.19 47.23 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.73 2.286 . . . . 0.0 112.303 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.6 m -93.23 124.69 37.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.8 p -160.19 170.85 20.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.479 -179.96 . . . . . . . . 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 1.451 -0.317 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.0 m -124.38 147.98 47.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 0.0 110.896 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -111.11 138.32 47.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.28 148.89 1.01 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.497 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.0 p -132.42 94.52 3.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.828 0.347 . . . . 0.0 110.856 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.1 p -112.18 141.54 45.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.15 102.95 0.23 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.484 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.5 t -98.11 79.18 2.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 111.2 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 140.37 133.0 2.92 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -92.01 91.33 7.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.893 0.377 . . . . 0.0 110.896 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.49 ' HD3' ' HB1' ' A' ' 21' ' ' ALA . 10.6 mptt -71.43 159.15 86.37 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.551 0.691 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -27.58 26.19 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.688 2.259 . . . . 0.0 112.342 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.555 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 68.7 m-85 -103.43 162.14 13.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -161.99 133.17 5.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 19' ' ' GLY . 7.4 t -84.66 81.97 8.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.75 -26.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.079 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.566 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 6.2 mp0 -57.26 -61.78 2.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.8 p -105.78 -39.47 6.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 114.49 33.5 1.74 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.456 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.5 mttt -87.55 157.08 19.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.785 0.326 . . . . 0.0 110.895 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.49 ' HB1' ' HD3' ' A' ' 11' ' ' LYS . . . -108.89 129.62 55.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.402 ' CD2' ' HA ' ' A' ' 28' ' ' LEU . 27.9 m-85 -125.41 135.9 52.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 60.3 p -77.21 -37.83 52.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.181 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -117.94 146.66 43.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.555 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 28.6 ttp180 -63.08 -56.46 16.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 77.6 p -41.05 -43.63 2.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.0 m-20 -64.24 -44.01 93.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.402 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 19.3 tp -58.64 -58.11 10.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -45.54 -45.26 13.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.429 HG23 ' HE2' ' A' ' 33' ' ' LYS . 86.8 m -57.19 -43.07 82.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.097 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 33' ' ' LYS . 32.7 t60 -65.74 -53.93 34.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -38.57 -26.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' HIS . 26.2 mtmt -46.93 -49.53 20.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.473 HG13 ' N ' ' A' ' 35' ' ' HIS . 8.5 pt -51.31 -26.43 5.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.566 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 91.1 m-70 -86.09 -51.17 6.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.819 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.9 t -81.43 128.22 33.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -111.23 -140.24 8.21 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -103.82 40.65 1.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.931 0.396 . . . . 0.0 110.911 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.9 pttp -126.82 143.93 48.34 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.546 0.688 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 128.35 15.93 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.673 2.249 . . . . 0.0 112.392 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 53.2 p -102.43 91.77 4.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.836 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -51.62 146.22 12.86 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 175.31 8.29 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.685 2.257 . . . . 0.0 112.348 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 45' ' ' SER . 54.2 m -99.13 166.92 11.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 44' ' ' SER . 41.2 t -36.67 -46.82 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 CA-C-O 119.132 -0.815 . . . . 0.0 112.491 -179.978 . . . . . . . . 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 -0.322 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 p -68.29 121.44 16.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.874 0.369 . . . . 0.0 110.845 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.9 t -86.15 -47.05 9.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.51 54.61 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.674 -0.775 . . . . 0.0 112.421 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 6' ' ' SER . 5.9 t -87.84 41.54 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 110.85 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 5' ' ' SER . 98.6 p -35.15 104.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.35 -72.7 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.413 HG23 ' O ' ' A' ' 8' ' ' THR . 5.7 t -60.44 121.44 12.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.827 0.346 . . . . 0.0 111.121 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 136.01 -32.78 2.47 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -93.45 113.8 26.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.901 0.381 . . . . 0.0 110.874 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.706 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 72.4 mmtt -105.77 154.13 39.53 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.562 0.696 . . . . 0.0 110.916 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.415 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.5 Cg_endo -69.8 -17.2 37.55 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.702 2.268 . . . . 0.0 112.302 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.547 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 87.1 m-85 -117.88 122.99 44.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -125.83 139.39 53.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.6 t -76.33 122.93 25.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.1 30.43 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.578 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 17.4 mm-40 -126.76 -51.09 1.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.7 p -113.66 -49.02 2.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.01 27.8 0.99 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.43 ' HA ' ' NZ ' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -82.01 150.54 27.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.815 0.34 . . . . 0.0 110.909 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.706 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -108.33 144.37 35.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.057 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.409 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 97.4 m-85 -140.33 136.6 33.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 t -67.32 -38.8 85.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -112.35 169.51 8.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.547 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 5.9 ttm105 -87.73 -45.29 10.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.5 m -49.44 -47.03 48.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.804 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -61.83 -43.54 98.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.6 tp -55.02 -58.25 8.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -47.42 -39.54 15.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 92.7 m -64.88 -37.57 88.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -70.72 -35.76 72.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -55.13 -14.08 1.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -57.55 -24.08 54.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 25.6 pt -75.99 -10.51 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.578 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 77.2 m-70 -117.9 -66.19 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.2 p 47.06 36.75 4.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.76 -161.17 28.11 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.458 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -84.23 120.04 25.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.949 0.404 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -63.55 143.99 97.81 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.583 0.706 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 143.97 52.38 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.327 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.7 t -139.19 141.18 37.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 160.42 -75.51 0.19 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -8.89 24.76 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.707 2.271 . . . . 0.0 112.302 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.1 m -49.08 122.4 5.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 52.4 p -139.72 154.21 47.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.813 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.477 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 3' ' ' SER . 58.0 m -154.73 176.58 12.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.859 -179.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 2' ' ' SER . 6.2 m -35.07 -60.48 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 44.46 -124.63 5.71 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.515 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p -91.42 107.71 19.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.902 0.382 . . . . 0.0 110.806 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.5 t -114.43 114.34 25.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.21 155.78 13.76 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.484 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.0 p -70.03 -41.64 74.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.819 0.342 . . . . 0.0 111.131 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 137.37 111.5 1.06 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.484 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -118.64 85.85 2.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.925 0.393 . . . . 0.0 110.894 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.0 mttt -145.55 157.5 51.94 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.562 0.696 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.542 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.78 -27.22 26.66 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.682 2.255 . . . . 0.0 112.326 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.542 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 37.0 m-85 -108.1 153.3 23.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.974 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.407 ' CG ' ' O ' ' A' ' 20' ' ' LYS . 44.7 ttp180 -156.54 151.78 26.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.6 t -83.96 122.27 28.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.02 29.91 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.112 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -125.19 -53.97 1.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.5 p -106.79 -43.14 4.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.04 38.8 0.85 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.407 ' O ' ' CG ' ' A' ' 14' ' ' ARG . 57.1 tttm -94.38 162.48 13.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.813 0.339 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.12 144.05 40.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.117 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.42 ' CD1' HD13 ' A' ' 28' ' ' LEU . 96.5 m-85 -139.42 132.65 29.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 t -67.79 -32.61 73.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.158 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.506 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 13.7 t70 -124.81 170.9 10.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.442 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 8.4 tpp85 -87.32 -47.77 8.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.4 p -44.77 -42.42 7.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.803 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -69.05 -43.53 74.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.42 HD13 ' CD1' ' A' ' 22' ' ' PHE . 37.8 tp -54.3 -47.48 72.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -53.98 -47.84 70.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.513 HG23 ' HE2' ' A' ' 33' ' ' LYS . 99.8 m -55.67 -41.37 73.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.418 ' C ' ' N ' ' A' ' 33' ' ' LYS . 46.8 t60 -66.68 -47.86 71.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.631 ' O ' HG23 ' A' ' 36' ' ' THR . 31.6 mt-30 -43.57 -22.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.513 ' HE2' HG23 ' A' ' 30' ' ' THR . 52.9 mtmt -51.27 -48.31 62.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.418 HD11 ' CE1' ' A' ' 31' ' ' HIS . 5.9 pt -60.65 -9.24 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -113.01 -11.96 13.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.82 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.631 HG23 ' O ' ' A' ' 32' ' ' GLN . 70.9 p -91.74 47.94 1.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -178.4 -72.76 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.487 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -136.86 117.11 13.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.907 0.384 . . . . 0.0 110.929 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.7 ptpt -92.92 140.56 23.54 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.622 0.725 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -37.46 9.09 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.704 2.269 . . . . 0.0 112.3 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 62.8 p -43.31 163.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.836 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -153.45 -95.05 0.11 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 100.6 0.83 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.676 2.251 . . . . 0.0 112.333 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.6 m -156.03 167.5 30.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.6 p -155.09 175.68 13.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.513 -179.952 . . . . . . . . 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 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 t -121.78 154.28 37.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.841 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -111.62 167.19 10.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.825 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.75 -152.6 25.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.9 m -136.44 132.42 35.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.92 0.391 . . . . 0.0 110.879 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.1 p -152.42 145.03 24.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.856 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.93 75.49 1.49 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.3 p -136.29 171.92 13.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.815 0.34 . . . . 0.0 111.168 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.11 -174.83 21.7 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.452 ' HG2' ' N ' ' A' ' 11' ' ' LYS . 33.8 tt0 -139.23 153.45 47.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.875 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.791 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 12.9 mptt -96.2 150.81 37.66 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.573 0.702 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -38.94 7.03 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.676 2.251 . . . . 0.0 112.366 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.529 ' CE1' ' HB3' ' A' ' 25' ' ' ARG . 51.5 m-85 -93.85 149.16 21.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.5 tpp85 -148.22 142.16 25.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.0 t -79.55 109.76 14.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.8 -0.84 7.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.069 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -90.41 -64.46 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -101.34 -48.26 4.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.52 55.42 0.26 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.487 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.425 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 31.4 tttt -109.67 151.91 26.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.788 0.328 . . . . 0.0 110.854 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.791 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -97.48 142.21 29.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.571 ' CD2' HD13 ' A' ' 28' ' ' LEU . 98.4 m-85 -138.56 123.38 18.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.1 t -67.95 -22.32 65.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.173 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -139.69 126.3 20.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.529 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 25.6 ptt180 -47.37 -41.4 19.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.8 p -46.63 -46.32 19.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -65.27 -43.35 91.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.571 HD13 ' CD2' ' A' ' 22' ' ' PHE . 44.2 tp -52.98 -55.7 21.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.959 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -47.19 -48.66 23.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 97.1 m -56.14 -33.63 65.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.151 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.565 ' CE1' HD11 ' A' ' 34' ' ' ILE . 38.1 t60 -76.08 -51.6 11.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -38.86 -26.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 31' ' ' HIS . 8.6 mtmp? -49.73 -48.6 49.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.853 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.565 HD11 ' CE1' ' A' ' 31' ' ' HIS . 6.1 pt -58.49 -17.9 10.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.079 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -95.87 -73.39 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.7 t -46.85 -20.18 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.182 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -38.21 -57.4 1.75 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.507 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -80.6 112.65 18.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.966 0.412 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.475 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 60.8 tttt -73.94 139.6 76.72 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.566 0.698 . . . . 0.0 110.924 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.475 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.7 Cg_endo -69.72 84.94 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.749 2.3 . . . . 0.0 112.307 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.3 p -66.79 141.83 57.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.9 146.42 9.15 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.46 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -35.79 11.95 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.339 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 77.4 p -134.67 127.67 31.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.829 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.0 t -81.19 -53.86 6.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.879 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.152 -0.805 . . . . 0.0 112.473 -179.997 . . . . . . . . 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 -0.318 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 m -160.4 145.52 14.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.868 0.366 . . . . 0.0 110.89 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.1 m -132.02 151.41 51.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.82 -48.49 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.491 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -82.64 80.81 8.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.866 0.365 . . . . 0.0 110.904 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 t -167.42 155.6 9.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.847 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.63 165.48 10.44 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.5 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 22.7 p -128.62 40.06 3.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.874 0.369 . . . . 0.0 111.183 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 162.63 98.64 0.13 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.475 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -135.65 167.2 21.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.906 0.384 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.454 ' HG2' ' N ' ' A' ' 23' ' ' THR . 6.3 mptt -67.64 153.91 94.21 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.55 0.69 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -28.06 25.75 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.755 2.303 . . . . 0.0 112.315 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.568 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 73.2 m-85 -102.4 161.51 13.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.406 ' HD2' ' C ' ' A' ' 14' ' ' ARG . 2.0 tmm_? -167.13 135.36 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.827 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.5 t -75.36 120.62 21.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.51 0.23 30.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.117 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.528 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 52.5 mm-40 -92.6 -50.18 5.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.7 p -108.56 -46.41 3.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.861 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.23 27.23 3.21 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.451 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.447 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 51.2 tttt -84.41 158.22 21.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.753 0.311 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.33 145.23 29.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.098 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.447 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 98.2 m-85 -143.0 124.94 15.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.454 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 9.5 t -68.33 -31.73 71.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.145 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -121.65 151.49 40.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.568 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 63.6 ttp85 -69.76 -54.47 13.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.7 m -40.12 -48.57 2.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -59.29 -45.34 91.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.0 tp -56.02 -60.74 3.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -49.2 -41.78 38.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 97.8 m -64.48 -33.2 75.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.162 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.45 ' O ' ' N ' ' A' ' 33' ' ' LYS . 9.2 t60 -73.83 -48.34 31.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -40.57 -25.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 31' ' ' HIS . 35.2 mtmt -51.12 -44.09 61.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.467 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -51.49 -25.12 4.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.137 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.528 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 82.7 m-70 -83.06 -75.03 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.0 t -44.86 -29.52 0.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.13 106.81 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.523 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -112.04 78.6 1.14 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.892 0.377 . . . . 0.0 110.845 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -148.62 140.97 14.87 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.545 0.688 . . . . 0.0 110.967 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -50.74 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.654 2.236 . . . . 0.0 112.329 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -174.04 125.91 0.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -151.13 82.75 0.18 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.476 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -4.29 13.74 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.677 2.251 . . . . 0.0 112.335 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.8 m -100.16 89.16 3.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.6 t -109.57 -54.11 2.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.161 -0.799 . . . . 0.0 112.487 -179.96 . . . . . . . . 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 -0.308 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -161.48 160.51 29.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.881 0.372 . . . . 0.0 110.868 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 m -107.94 -53.17 2.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.813 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.66 -124.23 0.76 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.8 m -67.39 82.79 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 110.849 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -60.45 -49.84 75.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.816 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 45.85 80.29 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.477 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 75.1 p -74.62 -51.95 13.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.858 0.361 . . . . 0.0 111.16 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 172.26 141.43 3.41 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -81.24 -31.54 33.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 110.843 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.701 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 1.8 mptp? -37.99 138.98 0.64 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.571 0.7 . . . . 0.0 110.914 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.512 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.77 -32.21 19.0 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.707 2.271 . . . . 0.0 112.325 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.512 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 47.1 m-85 -95.47 143.08 27.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.0 ttt85 -145.88 147.44 31.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 19' ' ' GLY . 6.4 t -95.3 82.48 3.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.51 -23.5 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.071 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.521 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 79.9 mm-40 -60.38 -60.45 3.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.4 p -105.55 -40.13 5.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 114.85 43.8 0.72 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.458 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -100.99 172.95 6.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.831 0.348 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.701 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -122.57 148.39 45.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -147.51 150.53 34.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.56 HG22 ' O ' ' A' ' 23' ' ' THR . 10.4 m -105.06 27.73 7.91 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -172.27 136.16 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.831 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -58.74 -50.98 71.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.5 m -51.77 -43.26 62.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -60.96 -45.06 96.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.9 tp -61.04 -59.85 4.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -49.44 -39.36 32.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 73.1 m -63.78 -39.3 93.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.173 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.472 ' O ' ' N ' ' A' ' 33' ' ' LYS . 7.7 t60 -71.26 -49.09 46.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -40.12 -25.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 31' ' ' HIS . 72.1 mttt -50.71 -44.4 58.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.433 HG13 ' CD2' ' A' ' 35' ' ' HIS . 6.3 pt -50.41 -21.05 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.521 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 79.2 m-70 -88.28 -42.31 12.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.641 HG23 ' O ' ' A' ' 36' ' ' THR . 10.1 t -102.1 79.84 1.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.52 116.75 0.4 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.537 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -114.72 147.78 39.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.912 0.387 . . . . 0.0 110.894 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -123.18 80.57 52.01 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.579 0.704 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 174.68 9.1 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.69 2.26 . . . . 0.0 112.324 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 42' ' ' GLY . 10.4 t -90.55 43.87 1.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 41' ' ' SER . . . 34.63 69.09 0.2 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -49.77 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.699 2.266 . . . . 0.0 112.328 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.0 t -107.49 -45.42 4.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.836 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t 70.65 41.63 0.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 CA-C-O 119.093 -0.837 . . . . 0.0 112.492 -179.993 . . . . . . . . 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 -0.311 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 t -106.8 -56.19 2.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.88 0.371 . . . . 0.0 110.825 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.0 p -99.36 99.97 10.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.06 -147.1 6.13 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.478 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 t -96.07 43.79 1.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.91 0.386 . . . . 0.0 110.866 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.7 m -107.02 41.99 1.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.06 59.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.484 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.6 t -69.88 145.27 52.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.81 0.338 . . . . 0.0 111.123 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.48 142.74 6.31 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.483 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -108.05 39.5 1.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.91 0.386 . . . . 0.0 110.877 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -93.48 152.53 41.03 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.559 0.695 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.514 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.5 Cg_endo -69.73 -16.49 37.7 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.647 2.232 . . . . 0.0 112.337 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.573 ' CE2' ' HA ' ' A' ' 24' ' ' ASP . 48.6 m-85 -122.3 131.04 53.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -144.05 152.25 40.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.1 t -92.06 111.43 22.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.61 -18.09 64.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.097 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.527 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 8.9 mm-40 -70.86 -59.15 2.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.9 p -100.14 -48.35 4.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.09 41.42 0.9 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.526 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -100.67 161.31 13.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.779 0.323 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.48 145.57 28.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.07 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.44 ' CD1' HD13 ' A' ' 28' ' ' LEU . 84.0 m-85 -138.99 143.63 38.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.9 p -73.17 -46.56 50.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.151 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.573 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 3.5 p-10 -131.75 176.74 8.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.878 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.525 ' HG3' ' CE1' ' A' ' 13' ' ' TYR . 27.6 mtm180 -68.65 -59.0 3.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 25' ' ' ARG . 15.4 t -34.42 -51.07 0.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -61.39 -45.34 94.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' ARG . 40.8 tp -64.72 -59.86 3.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -47.55 -40.76 19.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 86.3 m -63.0 -40.3 97.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.112 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.491 ' O ' ' N ' ' A' ' 33' ' ' LYS . 11.1 t60 -72.09 -52.83 14.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.874 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 31' ' ' HIS . 63.3 mt-30 -36.59 -29.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 31' ' ' HIS . 42.8 mttm -47.21 -48.7 24.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.485 HG13 ' N ' ' A' ' 35' ' ' HIS . 11.3 pt -44.58 -27.22 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.091 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.527 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 91.0 m-70 -88.03 -60.2 2.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.563 HG23 ' O ' ' A' ' 36' ' ' THR . 9.8 t -83.65 110.55 18.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.28 -50.92 0.72 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -52.96 179.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.912 0.387 . . . . 0.0 110.884 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -61.03 150.36 78.74 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.603 0.716 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 0.7 5.25 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.656 2.237 . . . . 0.0 112.351 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 m 63.71 52.73 2.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 115.02 -179.77 18.38 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.526 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 44' ' ' SER . 54.2 Cg_endo -69.66 0.18 5.94 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.674 2.249 . . . . 0.0 112.377 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 43' ' ' PRO . 27.9 t -35.37 122.15 0.6 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.2 p -103.06 -54.38 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.132 -0.816 . . . . 0.0 112.513 -179.985 . . . . . . . . 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 -0.356 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.1 m -94.43 -60.41 1.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.901 0.382 . . . . 0.0 110.819 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.1 t 58.42 42.06 21.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -40.18 107.82 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.4 p -52.16 102.86 0.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.899 0.38 . . . . 0.0 110.827 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -110.1 133.23 53.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.908 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.16 -114.76 1.5 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.491 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.2 t -125.75 132.25 52.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.797 0.332 . . . . 0.0 111.181 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.79 82.08 0.79 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.474 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -105.76 141.22 37.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.907 0.384 . . . . 0.0 110.886 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.584 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -90.38 149.33 40.86 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.576 0.703 . . . . 0.0 110.916 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -33.13 17.15 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.641 2.227 . . . . 0.0 112.384 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.669 ' HB3' HD22 ' A' ' 28' ' ' LEU . 51.9 m-85 -102.39 148.34 25.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.4 ttt85 -150.14 149.95 30.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.1 t -88.13 107.43 18.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.41 -9.1 16.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -83.16 -64.2 1.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.8 p -96.25 -48.75 5.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.38 28.84 1.88 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.463 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -80.09 170.15 16.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.34 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.584 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -117.2 142.52 46.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -142.2 135.76 29.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.0 p -75.92 -35.79 59.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.35 162.7 17.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -80.37 -49.92 10.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.1 m -41.42 -45.6 3.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -65.34 -51.03 63.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.669 HD22 ' HB3' ' A' ' 13' ' ' TYR . 60.1 tp -50.16 -56.54 10.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -51.31 -47.55 62.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 95.9 m -60.55 -29.27 69.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -79.66 -48.7 13.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.442 ' O ' HG23 ' A' ' 36' ' ' THR . 91.4 mt-30 -46.88 -19.86 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -52.99 -39.97 63.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.7 pt -60.23 -9.41 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -112.47 -22.04 11.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 32' ' ' GLN . 33.2 p -72.01 179.16 3.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.214 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.39 136.74 8.02 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.45 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -124.15 136.01 53.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.896 0.379 . . . . 0.0 110.883 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.432 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 52.3 tttt -103.24 139.4 20.08 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.573 0.701 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.432 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.8 Cg_endo -69.76 87.88 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.682 2.255 . . . . 0.0 112.357 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.8 t -167.23 110.84 0.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.07 83.19 0.19 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.506 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.7 Cg_endo -69.72 140.33 42.54 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.692 2.262 . . . . 0.0 112.329 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 43' ' ' PRO . 72.1 m -34.85 137.53 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.7 t -129.26 -42.78 1.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.826 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.496 179.984 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_